SCHEMBL5778658

SCHEMBL5778658

CC(C)N(C(=O)c1ccc(C(=C2CCN(Cc3ccccc3)CC2)c2cccc3cccnc23)cc1)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.68
OPRD1 P41143 16/20 0.68
KCNH2 Q12809 5/20 0.47
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5781527 0.94 OPRD1 (0.67) OPRM1OPRD1KCNH2
SCHEMBL5779820 0.92 OPRM1 (0.67) OPRM1OPRD1KCNH2
SCHEMBL5779804 0.91 OPRM1 (0.65) OPRM1OPRD1KCNH2MAPK1SMN1; SMN2
SCHEMBL5781201 0.90 OPRD1 (0.64) OPRM1OPRD1KCNH2
SCHEMBL5779862 0.89 OPRD1 (0.63) OPRM1OPRD1KCNH2
SCHEMBL5781369 0.89 OPRD1 (0.61) OPRM1OPRD1KCNH2
SCHEMBL6192560 0.88 OPRD1 (0.85) OPRM1OPRD1KCNH2
SCHEMBL5779863 0.87 OPRD1 (0.58) OPRM1OPRD1KCNH2
SCHEMBL5781253 0.86 OPRD1 (0.59) OPRM1OPRD1KCNH2
SCHEMBL5780724 0.86 OPRD1 (0.57) 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 10 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-6967079-B2 Pyrimidine derivatives for labeled binding partners ISIS PHARMACEUTICALS, INC. (US) 2005-11-22 US 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
US-20030207824-A1 Pyrimidine derivatives for labeled binding partners MATTEUCCI MARK D (US) 2003-11-06 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 (2 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-20030207824-A1 Pyrimidine derivatives for labeled binding partners HNRNPH3, NSUN2, HNRNPH1 OPRM1 334/4885OPRD1 900/4885KCNH2 1995/4885
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.