SCHEMBL3098967

SCHEMBL3098967

CN(C)CCn1cc(C(=O)O)c2ccc(Cl)cc21

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.59
AVPR1A P37288 2/20 0.53
CNR2 P34972 3/20 0.48
CPT1A P50416 1/20 0.43
CNR1 P21554 1/20 0.42
PRPS1 P60891 1/20 0.41
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KMO O15229 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 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
SCHEMBL3082509 0.86 PRPS1 (0.56) HTR6AVPR1ACNR2CNR1PRPS1
SCHEMBL2642993 0.85 CNR2 (0.48) CNR2CPT1ACNR1PRPS1MCL1
SCHEMBL825141 0.83 HTR6 (0.45) HTR6AVPR1ACNR2CPT1ACNR1
SCHEMBL2642659 0.83 CNR2 (0.51) CNR2CNR1PRPS1ALDH1A1
SCHEMBL612486 0.82 AVPR1A (0.58) HTR6AVPR1ACPT1A
SCHEMBL2642676 0.82 KDM4E (0.48) CNR2CPT1ACNR1ALDH1A1CA1
SCHEMBL2643380 0.82 CNR2 (0.56) CNR2CNR1
SCHEMBL612485 0.82 AVPR1A (0.54) AVPR1ACNR2CPT1ACNR1MCL1
SCHEMBL2643935 0.82 PTGDR2 (0.43) HTR6AVPR1ACNR2CPT1ACNR1
SCHEMBL7778088 0.81 CNR2 (0.70) HTR6CNR2ALDH1A1

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
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
CN-101268067-A Indol-3-yl-carbonyl-piperidine-benzimidazole derivatives as V1A receptor antagonists HOFFMANN LA ROCHE (CH) 2008-09-17 CN 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 HTR6 116/4885AVPR1A 1/4885CNR2 96/4885
US-20070021463-A1 Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives AVPR1A, AVPR2, AVPR1B HTR6 116/4885AVPR1A 1/4885CNR2 96/4885

“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.