SCHEMBL3102001

SCHEMBL3102001

COc1ccc2c(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)cn(C(C)C)c2c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.64
OPRM1 P35372 6/20 0.54
AVPR1A P37288 1/20 0.54
CHRM1 P11229 2/20 0.54
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
OPRD1 P41143 2/20 0.51
OPRK1 P41145 1/20 0.51
OPRL1 P41146 2/20 0.50

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
SCHEMBL3091998 0.88 HSD11B1 (0.63) HSD11B1OPRM1AVPR1ACHRM1
SCHEMBL3081080 0.88 AVPR1A (0.68) HSD11B1OPRM1AVPR1ACHRM1
SCHEMBL3094980 0.88 HSD11B1 (0.61) HSD11B1OPRM1AVPR1ACHRM1
SCHEMBL3107877 0.79 HSD11B1 (0.68) HSD11B1OPRM1AVPR1ACHRM1DRD2
SCHEMBL3086396 0.78 HSD11B1 (0.67) HSD11B1AVPR1ACHRM1
SCHEMBL3108012 0.77 FPR2 (0.71) HSD11B1OPRM1DRD2DRD4DRD3
SCHEMBL3103574 0.77 HSD11B1 (0.70) HSD11B1OPRM1
SCHEMBL8863877 0.76 HSD11B1 (0.74) HSD11B1OPRM1CHRM1
SCHEMBL5474212 0.74 CHRM1 (0.76) HSD11B1CHRM1
SCHEMBL22605511 0.72 OPRM1 (0.71) HSD11B1OPRM1CHRM1DRD2DRD4

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 HSD11B1 2549/4885OPRM1 29/4885AVPR1A 1/4885
US-20070021463-A1 Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives AVPR1A, AVPR2, AVPR1B HSD11B1 2549/4885OPRM1 29/4885AVPR1A 1/4885

“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.