SCHEMBL3098947

SCHEMBL3098947

CN(C)CCn1c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.57
OPRM1 P35372 5/20 0.49
OPRL1 P41146 4/20 0.49
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCD Q05655 1/20 0.46
CYP3A4 P08684 2/20 0.45
OPRD1 P41143 1/20 0.45
OGFRL1 Q5TC84 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
CCR5 P51681 1/20 0.45
CNR2 P34972 1/20 0.45
TACR1 P25103 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 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
SCHEMBL8063089 0.89 OPRM1 (0.50) CYP2D6OPRM1OPRL1CACNA1GCACNA1H
SCHEMBL7596262 0.88 OPRM1 (0.49) CYP2D6OPRM1OPRL1CACNA1GCACNA1H
SCHEMBL4703256 0.87 CACNA1G (0.52) CYP2D6OPRM1OPRL1CACNA1GCACNA1H
SCHEMBL24895572 0.86 CYP2D6 (0.45) CYP2D6OPRM1OPRL1PRKCGPRKCB
SCHEMBL7586930 0.86 OPRL1 (0.51) CYP2D6OPRM1OPRL1CACNA1GCACNA1H
SCHEMBL8103415 0.85 OPRL1 (0.53) OPRM1OPRL1CACNA1GCACNA1HGPR119
SCHEMBL30849340 0.85 CACNA1G (0.66) CYP2D6OPRM1OPRL1CACNA1GCACNA1H
SCHEMBL24709345 0.85 CACNA1G (0.66) CYP2D6OPRM1OPRL1CACNA1GCACNA1H
SCHEMBL12919539 0.85 CYP3A4 (0.58) CYP2D6OPRM1OPRL1CACNA1GCACNA1H
SCHEMBL14518248 0.84 OPRL1 (0.47) OPRM1OPRL1CACNA1GCACNA1HPRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256140-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES BISSANTZ CATERINA 2010-10-07 US disclosed
US-7803815-B2 Indol-3-yl-corbonyl-piperidin-benzoimidazol derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
EP-1912976-B1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOLE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-11-12 EP disclosed
EP-1912976-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-23 EP disclosed
WO-2007009906-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed
US-20070021463-A1 Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives HOFFMANN-LA ROCHE INC. 2007-01-25 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-20100256140-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AVPR1A, AVPR2, AVPR1B CYP2D6 2432/4885OPRM1 29/4885OPRL1 11/4885
US-20070021463-A1 Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives AVPR1A, AVPR2, AVPR1B CYP2D6 2432/4885OPRM1 29/4885OPRL1 11/4885

“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.