SCHEMBL13633134

SCHEMBL13633134

Cc1cc(C(N)=O)ccc1-c1ccc(CNCCC(C)C)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
HDAC1 Q13547 2/20 0.37
ADRB1 P08588 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 SCHEMBL4072865 0.99 OPRK1 (0.40) OPRK1OPRM1OPRD1ROCK2ROCK1
SCHEMBL4083769 0.91 OPRM1 (0.42) OPRK1OPRM1OPRD1ROCK2ROCK1
SCHEMBL4079230 0.88 OPRM1 (0.40) OPRK1OPRM1OPRD1ROCK2ROCK1
SCHEMBL4073644 0.84 OPRM1 (0.53) OPRK1OPRM1OPRD1SMN1; SMN2ITGB1
Hydrochloric Acid SCHEMBL4073979 0.83 OPRM1 (0.52) OPRK1OPRM1OPRD1SMN1; SMN2ITGB1
SCHEMBL4075483 0.83 OPRK1 (0.39) OPRK1OPRM1OPRD1LMNASMN1; SMN2
SCHEMBL4080078 0.80 OPRM1 (0.41) OPRK1OPRM1OPRD1ROCK2ROCK1
SCHEMBL4074422 0.80 OPRM1 (0.44) OPRK1OPRM1OPRD1LMNASMN1; SMN2
SCHEMBL4075641 0.79 OPRM1 (0.52) OPRK1OPRM1OPRD1LMNASMN1; SMN2
SCHEMBL4080426 0.79 OPRM1 (0.48) OPRK1OPRM1OPRD1LMNASMN1; SMN2

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 5 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-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

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 OPRK1 2/4885OPRM1 4/4885OPRD1 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.