SCHEMBL4807302

SCHEMBL4807302

O=C(OCc1ccccc1)N(Cc1ccccc1)C1CCC(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.46
HTR2A P28223 3/20 0.46
ENPP2 Q13822 1/20 0.46
CCR5 P51681 2/20 0.43
AGER Q15109 3/20 0.43
CHRM2 P08172 2/20 0.43
CHRM3 P20309 2/20 0.43
MTNR1A P48039 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRM1 P35372 2/20 0.42
ALDH1A1 P00352 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4807309 1.00 PTGDR2 (0.46) PTGDR2HTR2AENPP2CCR5AGER
SCHEMBL4805070 0.88 CCR5 (0.55) ENPP2CCR5SIGMAR1
SCHEMBL4805068 0.88 CCR5 (0.55) ENPP2CCR5SIGMAR1
SCHEMBL6202628 0.85 HTR2A (0.51) HTR2ACHRM3
SCHEMBL803784 0.85 CCR5 (0.45) PTGDR2HTR2AENPP2CCR5AGER
SCHEMBL27596342 0.84 CCR5 (0.48) CCR5AGERCHRM2CHRM3MTNR1A
SCHEMBL4803993 0.84 HTR2A (0.57) PTGDR2HTR2A
SCHEMBL4803988 0.84 HTR2A (0.57) PTGDR2HTR2A
SCHEMBL4803005 0.84 CCR5 (0.52) ENPP2CCR5
SCHEMBL4802997 0.84 CCR5 (0.52) ENPP2CCR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2024-10-29 US disclosed
EP-4328223-A2 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2024-02-28 EP disclosed
EP-2699553-B1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-11-08 EP disclosed
US-20230116093-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-04-13 US disclosed
US-11325890-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2022-05-10 US disclosed
US-20210114992-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2021-04-22 US disclosed
US-10919865-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2021-02-16 US disclosed
US-20190194144-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2019-06-27 US disclosed
US-10266500-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2019-04-23 US disclosed
US-20180305322-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2018-10-25 US disclosed
US-20150336901-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2015-11-26 US disclosed
US-9139534-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2015-09-22 US disclosed
US-20130029987-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2013-01-31 US disclosed
EP-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 EP disclosed
US-7335687-B2 2,3-Oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2008-02-26 US disclosed
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors ACKERMANN JEAN (CH) 2005-08-11 US disclosed
US-6858651-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-02-22 US disclosed
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12129237-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 PTGDR2 1388/4885HTR2A 4229/4885ENPP2 1654/4885
US-20130029987-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 PTGDR2 1388/4885HTR2A 4229/4885ENPP2 1654/4885
US-20230116093-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 PTGDR2 1388/4885HTR2A 4229/4885ENPP2 1654/4885
US-20150336901-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 PTGDR2 1388/4885HTR2A 4229/4885ENPP2 1654/4885
US-20210114992-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 PTGDR2 1388/4885HTR2A 4229/4885ENPP2 1654/4885
US-20190194144-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 PTGDR2 1388/4885HTR2A 4229/4885ENPP2 1654/4885
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 PTGDR2 204/4885HTR2A 3743/4885ENPP2 244/4885
US-20180305322-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 PTGDR2 1388/4885HTR2A 4229/4885ENPP2 1654/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 PTGDR2 204/4885HTR2A 3743/4885ENPP2 244/4885
US-10266500-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 PTGDR2 1388/4885HTR2A 4229/4885ENPP2 1654/4885
US-11325890-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 PTGDR2 1388/4885HTR2A 4229/4885ENPP2 1654/4885
US-10919865-B2 Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith MAP3K2, HDGF, MAP3K1 PTGDR2 1388/4885HTR2A 4229/4885ENPP2 1654/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.