SCHEMBL1603231

SCHEMBL1603231

CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.61
OPRM1 P35372 14/20 0.61
OPRK1 P41145 5/20 0.58
KCNA5 P22460 2/20 0.58
KCNH2 Q12809 2/20 0.52
ABCB11 O95342 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL1603206 0.93 OPRD1 (0.64) OPRD1OPRM1OPRK1KCNA5KCNH2
SCHEMBL1604051 0.84 OPRD1 (0.70) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL1603368 0.82 OPRD1 (0.62) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL1603013 0.82 OPRD1 (0.61) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL1603243 0.81 OPRD1 (0.63) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL1603960 0.81 OPRD1 (0.68) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL1603412 0.80 OPRD1 (0.69) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL1603316 0.79 OPRD1 (0.69) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5391009 0.79 OPRD1 (0.80) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL1602876 0.79 OPRD1 (0.70) OPRD1OPRM1OPRK1KCNH2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110082173-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2011-04-07 US claimed
US-20070099957-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof ASTRA ZENECA AB (SE) 2007-05-03 US claimed
US-20110082173-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2011-04-07 US disclosed
US-20110082173-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2011-04-07 US disclosed
US-20110082173-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2011-04-07 US disclosed
US-20070099957-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof ASTRA ZENECA AB (SE) 2007-05-03 US disclosed
US-20070099957-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof ASTRA ZENECA AB (SE) 2007-05-03 US disclosed
US-20070099957-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof ASTRA ZENECA AB (SE) 2007-05-03 US 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 (2 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-20070099957-A1 Diarylmethylidene piperidine derivatives, preparations thereof and uses thereof OPRM1, OPRD1, QDPR OPRD1 2/4885OPRM1 1/4885OPRK1 7/4885
US-20110082173-A1 DIARYLMETHYLIDENE PIPERIDINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF OPRM1, OPRD1, QDPR OPRD1 2/4885OPRM1 1/4885OPRK1 7/4885

“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.