SCHEMBL5779804

SCHEMBL5779804

COc1ccc(CN2CCC(=C(c3ccc(C(=O)N(C(C)C)C(C)C)cc3)c3cccc4cccnc34)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.65
OPRD1 P41143 16/20 0.65
KCNH2 Q12809 4/20 0.44
DRD4 P21917 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5778658 0.91 OPRM1 (0.68) OPRM1OPRD1KCNH2MAPK1SMN1; SMN2
SCHEMBL5779820 0.90 OPRM1 (0.67) OPRM1OPRD1KCNH2DRD4
SCHEMBL5781527 0.90 OPRD1 (0.67) OPRM1OPRD1KCNH2
SCHEMBL5781369 0.85 OPRD1 (0.61) OPRM1OPRD1KCNH2
SCHEMBL5779862 0.85 OPRD1 (0.63) OPRM1OPRD1KCNH2
SCHEMBL5781201 0.85 OPRD1 (0.64) OPRM1OPRD1KCNH2DRD4ALDH1A1
SCHEMBL5779863 0.83 OPRD1 (0.58) OPRM1OPRD1KCNH2
SCHEMBL5780724 0.83 OPRD1 (0.57) OPRM1OPRD1KCNH2ALDH1A1
SCHEMBL5781253 0.83 OPRD1 (0.59) OPRM1OPRD1KCNH2
SCHEMBL5781599 0.83 OPRD1 (0.59) OPRM1OPRD1KCNH2

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 7 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 claimed
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 claimed
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 claimed
EP-1395575-A1 4-(PENYL-PIPERIDIN-4-YLIDENE-METHYL)-BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2004-03-10 EP claimed
WO-2002094811-A1 4-(PENYL-PIPERIDIN-4-YLIDENE-METHYL)-BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2002-11-28 WO claimed
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

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 OPRM1 5/4885OPRD1 2/4885KCNH2 68/4885

“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.