SCHEMBL3086554

SCHEMBL3086554

CCN(CC)C(=O)Cn1cc(C(=O)N2CCC(n3c(=O)n(CC(=O)N(CC)CC)c4ccccc43)CC2)c2ccc(Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.53
AVPR1A P37288 8/20 0.48
CNR1 P21554 1/20 0.47
KMT2A Q03164 2/20 0.43
OPRL1 P41146 5/20 0.41
OPRM1 P35372 3/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
IDE P14735 1/20 0.40

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
SCHEMBL3098960 0.84 ENPP2 (0.55) ENPP2AVPR1ACNR1KMT2AMEN1
SCHEMBL825145 0.81 AVPR1A (0.50) AVPR1ACNR1ALDH1A1
SCHEMBL3095710 0.77 AVPR1A (0.65) AVPR1AOPRM1
SCHEMBL5137786 0.76 AVPR1A (0.48) ENPP2AVPR1AOPRL1OPRM1
SCHEMBL4359975 0.74 AVPR1A (0.64) AVPR1ACNR1KMT2A
SCHEMBL4359976 0.74 AVPR1A (0.64) AVPR1ACNR1KMT2A
SCHEMBL4356445 0.73 AVPR1A (0.85) AVPR1ACNR1KMT2A
SCHEMBL825281 0.73 AVPR1A (0.56) AVPR1ACNR1KMT2AMEN1ALDH1A1
SCHEMBL4356443 0.73 AVPR1A (0.85) AVPR1ACNR1KMT2A
SCHEMBL4359929 0.73 AVPR1A (0.60) AVPR1ACNR1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803815-B2 Indol-3-yl-corbonyl-piperidin-benzoimidazol derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US claimed
EP-1912976-B1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOLE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-11-12 EP claimed
EP-1912976-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-23 EP claimed
WO-2007009906-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO claimed
US-20070021463-A1 Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives HOFFMANN-LA ROCHE INC. 2007-01-25 US claimed
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 ENPP2 3523/4885AVPR1A 1/4885CNR1 52/4885
US-20070021463-A1 Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives AVPR1A, AVPR2, AVPR1B ENPP2 3523/4885AVPR1A 1/4885CNR1 52/4885

“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.