SCHEMBL5879400

SCHEMBL5879400

CCN(CC)C(=O)c1ccc(N(c2cc(F)ccc2C(=O)O)C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 20/20 0.69
OPRM1 P35372 17/20 0.69
OPRK1 P41145 14/20 0.67

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
SCHEMBL5879329 0.93 OPRD1 (0.81) OPRD1OPRM1OPRK1
SCHEMBL6394863 0.84 OPRD1 (0.88) OPRD1OPRM1OPRK1
SCHEMBL6325559 0.83 OPRD1 (0.74) OPRD1OPRM1OPRK1
SCHEMBL6334466 0.83 OPRD1 (0.65) OPRD1OPRM1OPRK1
SCHEMBL5879405 0.82 OPRD1 (0.78) OPRD1OPRM1OPRK1
SCHEMBL6176767 0.82 OPRD1 (1.00) OPRD1OPRM1OPRK1
SCHEMBL5879325 0.82 OPRD1 (0.85) OPRD1OPRM1OPRK1
SCHEMBL6865749 0.81 OPRD1 (0.83) OPRD1OPRM1OPRK1
SCHEMBL5879337 0.81 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL5491700 0.81 OPRD1 (1.00) OPRD1OPRM1OPRK1

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.