SCHEMBL5780666

SCHEMBL5780666

CC(C)N(C(=O)c1ccc(C(=C2CCNCC2)c2cccc3cccnc23)cc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 18/20 0.51
OPRM1 P35372 17/20 0.51
OPRK1 P41145 4/20 0.51
KCNH2 Q12809 1/20 0.47
RIPK1 Q13546 1/20 0.46

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
SCHEMBL4922241 0.85 OPRD1 (0.70) OPRD1OPRM1OPRK1KCNH2
SCHEMBL474169 0.83 OPRD1 (0.65) OPRD1OPRM1OPRK1KCNH2
SCHEMBL5778658 0.81 OPRM1 (0.68) OPRD1OPRM1KCNH2
SCHEMBL5779863 0.81 OPRD1 (0.58) OPRD1OPRM1OPRK1KCNH2RIPK1
SCHEMBL5781527 0.80 OPRD1 (0.67) OPRD1OPRM1KCNH2
SCHEMBL5781201 0.80 OPRD1 (0.64) OPRD1OPRM1KCNH2
SCHEMBL5779506 0.80 OPRM1 (0.49) OPRD1OPRM1
SCHEMBL5780105 0.80 OPRD1 (0.57) OPRD1OPRM1OPRK1KCNH2RIPK1
SCHEMBL5779820 0.79 OPRM1 (0.67) OPRD1OPRM1KCNH2
SCHEMBL5781253 0.78 OPRD1 (0.59) OPRD1OPRM1OPRK1KCNH2RIPK1

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
EP-1395575-B1 4-(PENYL-PIPERIDIN-4-YLIDENE-METHYL)-BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2006-07-19 EP disclosed
US-6838468-B2 4-(phenyl-piperdin-4-ylidene methyl)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2005-01-04 US disclosed
US-20040147553-A1 4-(phenyl-piperdin-4-ylidene methyl)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2004-07-29 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-20040147553-A1 4-(phenyl-piperdin-4-ylidene methyl)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders HTR1D, OPRD1, HTR2C OPRD1 2/4885OPRM1 5/4885OPRK1 30/4885

“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.