SCHEMBL5830258

SCHEMBL5830258

CC(C)N(C(=O)c1ccc(N(c2cccc(C(N)=O)c2F)C2CCN(Cc3cccnc3)CC2)cc1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.56
OPRM1 P35372 10/20 0.56
OPRK1 P41145 9/20 0.47
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
CHRM3 P20309 1/20 0.44
CYP3A4 P08684 3/20 0.44
UBE2M P61081 2/20 0.41
DCUN1D1 Q96GG9 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
SCHEMBL5829862 0.91 OPRD1 (0.58) OPRD1OPRM1OPRK1PARP1CYP3A4
SCHEMBL5879373 0.91 OPRD1 (0.70) OPRD1OPRM1OPRK1
SCHEMBL5830263 0.90 OPRD1 (0.68) OPRD1OPRM1OPRK1CHRM3
SCHEMBL5830256 0.89 OPRD1 (0.50) OPRD1OPRM1OPRK1PARP1PARP2
SCHEMBL5829658 0.87 OPRD1 (0.51) OPRD1OPRM1OPRK1CHRM3CYP3A4
SCHEMBL5829870 0.85 OPRM1 (0.53) OPRD1OPRM1OPRK1PARP1
SCHEMBL5830028 0.85 OPRD1 (0.55) OPRD1OPRM1OPRK1PARP2
SCHEMBL6751100 0.85 OPRD1 (0.55) OPRD1OPRM1OPRK1PARP1PARP2
SCHEMBL6600742 0.84 OPRD1 (0.49) OPRD1OPRM1OPRK1CYP3A4
SCHEMBL5829833 0.83 OPRD1 (0.60) OPRD1OPRM1OPRK1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142966-A1 4-(phenyl-(piperidin-4yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2004-07-22 US claimed
EP-1395557-A1 4-(phenyl-(piperidin-4-yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders AstraZeneca AB (SE) 2004-03-10 EP claimed
WO-2002094785-A1 4-(phenyl-(piperidin-4-yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2002-11-28 WO claimed
US-7008952-B2 4-(phenyl-(piperidin-4yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2006-03-07 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 (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-20040142966-A1 4-(phenyl-(piperidin-4yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders HTR2C, HTR1D, HTR1A OPRD1 5/4885OPRM1 17/4885OPRK1 37/4885

“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.