SCHEMBL458240

SCHEMBL458240

C=CCN1CCN(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.59
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.50
TMEM97 Q5BJF2 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
ENPP2 Q13822 1/20 0.44
BCL2L1 Q07817 1/20 0.44
CHEK1 O14757 2/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL4553991 0.94 OPRD1 (0.54) OPRD1KDM4EUSP2TMEM97SIGMAR1
SCHEMBL6550223 0.86 KMT2A (0.51) OPRD1TMEM97SIGMAR1KMT2ANPC1
SCHEMBL23610369 0.81 KDM4E (0.71) KDM4EUSP2KMT2ANPC1RAB9A
SCHEMBL17737082 0.81 KDM4E (0.71) KDM4EUSP2KMT2ANPC1RAB9A
SCHEMBL175992 0.80 CHRNA7 (0.58) OPRD1KDM4EUSP2SIGMAR1
SCHEMBL1742053 0.80 CHRNB2 (0.57) OPRD1KDM4EUSP2KMT2ANPC1
SCHEMBL1305549 0.79 CHRNA7 (0.62) KDM4EUSP2KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL4653256 0.78 CHRNA7 (0.61) KDM4EUSP2KMT2ANPC1RAB9A
SCHEMBL63379 0.78 KDM4E (0.54) KDM4EUSP2KMT2AENPP2CHEK1
SCHEMBL7423220 0.78 OPRD1 (0.60) OPRD1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996031476-A1 AROMATIC HYDROXYETHERS RHONE-POULENC RORER LIMITED (GB) 1996-10-10 WO claimed
US-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS GENZYME CORPORATION 2017-10-05 US disclosed
EP-3188729-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS Genzyme Corporation (US) 2017-07-12 EP disclosed
WO-2016036796-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS GENZYME CORPORATION (US) 2016-03-10 WO disclosed
EP-1906945-B1 HCV INHIBITORS VIROBAY INC (US) 2015-08-05 EP disclosed
US-20150209349-A1 Piperazine Compounds AMURA THERAPEUTICS LTD (GB) 2015-07-30 US disclosed
EP-2240491-B1 TETRAHYDROFURO(2,3-b)PYRROL-3-ONE DERIVATIVES AS INHIBITORS OF CYSTEINE PROTEINASES AMURA THERAPEUTICS LTD (GB) 2015-07-15 EP disclosed
US-20150191459-A1 CATHEPSIN INHIBITORS VIROBAY, INC. 2015-07-09 US disclosed
US-9045492-B2 Piperazine compounds AMURA THERAPEUTICS LIMITED (GB) 2015-06-02 US disclosed
EP-2078009-B1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI SA (FR) 2015-03-18 EP disclosed
EP-0960096-A1 SUBSTITUTED $g(b)-THIOCARBOXYLIC ACIDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-12-01 EP disclosed
WO-1999054321-A1 SUBSTITUTED DIAMINES AND THEIR USE AS CELL ADHESION INHIBITORS AVENTIS PHARMA LIMITED (GB) 1999-10-28 WO disclosed
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1999033789-A1 SUBSTITUTED β-ALANINES AVENTIS PHARMA LIMITED (GB) 1999-07-08 WO disclosed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 WO disclosed
WO-1998032734-A1 SUBSTITUTED β-THIOCARBOXYLIC ACIDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-07-30 WO disclosed
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 WO disclosed
WO-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed
WO-1996031476-A1 AROMATIC HYDROXYETHERS RHONE-POULENC RORER LIMITED (GB) 1996-10-10 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 (3 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-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS NGF, NTRK1, TK1 OPRD1 776/4885KDM4E 3577/4885USP2 1365/4885
US-20150191459-A1 CATHEPSIN INHIBITORS CTSF, CTSZ, CTSV OPRD1 4175/4885KDM4E 2762/4885USP2 302/4885
US-20150209349-A1 Piperazine Compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM1, CHRM5 OPRD1 382/4885KDM4E 277/4885USP2 4511/4885

“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.