SCHEMBL5879340

SCHEMBL5879340

CCN(CC)C(=O)c1ccc(N(NC(=O)c2ccc(F)cc2)C2CCN(Cc3ccccn3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 17/20 0.51
OPRM1 P35372 14/20 0.51
OPRK1 P41145 8/20 0.51
KCNH2 Q12809 3/20 0.49
RAB9A P51151 1/20 0.45
DRD4 P21917 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
SCHEMBL5879332 0.87 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL5879337 0.78 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL5879393 0.76 OPRD1 (0.59) OPRD1OPRM1OPRK1KCNH2
SCHEMBL6337137 0.76 OPRD1 (0.84) OPRD1OPRM1OPRK1
SCHEMBL5879389 0.76 OPRD1 (0.66) OPRD1OPRM1OPRK1
SCHEMBL5879387 0.76 OPRD1 (0.59) OPRD1OPRM1OPRK1
SCHEMBL5495190 0.75 OPRD1 (0.77) OPRD1OPRM1OPRK1
SCHEMBL5833579 0.74 CSNK1D (0.41) DRD4
SCHEMBL6611580 0.72 OPRK1 (0.56) OPRD1OPRM1OPRK1
SCHEMBL1603428 0.71 OPRD1 (0.61) OPRD1OPRM1OPRK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064137-B2 Analgesics; anxiolytic agents; gastrointestinal disorders ASTRAZENECA AB (SE) 2006-06-20 US disclosed
EP-1395558-B1 4-(PHENYL-(PIPERIDIN-4-YL)-AMINO)-BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2005-12-21 EP disclosed
US-20040152731-A1 4-(Phenyl-(piperidin-4-yl)-amino)-benzamide derivaties and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2004-08-05 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-20040152731-A1 4-(Phenyl-(piperidin-4-yl)-amino)-benzamide derivaties and their use for the treatment of pain, anxiety or gastrointestinal disorders HTR2C, OPRK1, OPRL1 OPRD1 4/4885OPRM1 8/4885OPRK1 2/4885

“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.