SCHEMBL4073644

SCHEMBL4073644

Cc1cc(C(N)=O)ccc1-c1ccc(CNCCC(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.53
OPRK1 P41145 5/20 0.53
OPRD1 P41143 4/20 0.53
HDAC1 Q13547 2/20 0.48
RARB P10826 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
DPP4 P27487 1/20 0.38
CA2 P00918 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK14 Q16539 1/20 0.38
F3 P13726 1/20 0.38
HSD17B1 P14061 1/20 0.37
DGAT1 O75907 2/20 0.37
SOAT1 P35610 2/20 0.37
ITGB1 P05556 1/20 0.37

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
Hydrochloric Acid SCHEMBL4073979 0.99 OPRM1 (0.52) OPRM1OPRK1OPRD1HDAC1RARB
SCHEMBL4075641 0.90 OPRM1 (0.52) OPRM1OPRK1OPRD1HDAC1DPP4
Hydrochloric Acid SCHEMBL4475141 0.89 OPRM1 (0.51) OPRM1OPRK1OPRD1HDAC1DPP4
SCHEMBL4081703 0.87 OPRM1 (0.52) OPRM1OPRK1OPRD1HDAC1PDCD1
SCHEMBL4496256 0.87 OPRM1 (0.52) OPRM1OPRK1OPRD1HDAC1ADRB1
SCHEMBL4083769 0.86 OPRM1 (0.42) OPRM1OPRK1OPRD1HDAC1ADRB1
SCHEMBL4476154 0.85 HDAC1 (0.46) OPRM1OPRK1OPRD1HDAC1RARB
SCHEMBL1347921 0.85 OPRM1 (0.46) OPRM1OPRK1OPRD1HDAC1PDCD1
SCHEMBL4080078 0.84 OPRM1 (0.41) OPRM1OPRK1OPRD1HDAC1NPC1
SCHEMBL13633134 0.84 OPRK1 (0.41) OPRM1OPRK1OPRD1HDAC1ADRB1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
EP-2084127-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-08-05 EP disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO disclosed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 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 (1 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 OPRM1 4/4885OPRK1 2/4885OPRD1 1/4885

“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.