SCHEMBL3082509

SCHEMBL3082509

COC(=O)c1cn(CCN(C)C)c2cc(Cl)ccc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 2/20 0.56
HTR6 P50406 1/20 0.53
AVPR1A P37288 1/20 0.51
NR4A2 P43354 3/20 0.46
CNR2 P34972 2/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 1/20 0.44
UTS2R Q9UKP6 1/20 0.43
ROCK1 Q13464 1/20 0.42
CNR1 P21554 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL3098967 0.86 HTR6 (0.59) PRPS1HTR6AVPR1ACNR2CNR1
SCHEMBL2081860 0.85 PRPS1 (0.56) PRPS1HTR6NR4A2CNR2TSHR
SCHEMBL16456874 0.82 ROCK1 (0.49) PRPS1NR4A2CNR2TSHRL3MBTL1
SCHEMBL9353785 0.82 NR4A2 (0.68) NR4A2CNR2TSHRL3MBTL1GAA
SCHEMBL2083612 0.77 ROCK1 (0.43) PRPS1NR4A2CNR2TSHRL3MBTL1
SCHEMBL9353793 0.76 NR4A2 (0.67) NR4A2CNR2TSHRL3MBTL1GAA
SCHEMBL615571 0.74 AVPR1A (0.58) AVPR1ATSHRL3MBTL1LMNAMAPT
SCHEMBL615202 0.74 AVPR1A (0.56) PRPS1HTR6AVPR1ATSHRLMNA
SCHEMBL614143 0.74 AVPR1A (0.57) HTR6AVPR1ALMNAMAPTKMT2A
SCHEMBL17113048 0.73 HTR2C (0.44) HTR6NR4A2CNR2TSHRL3MBTL1

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 PRPS1 4582/4885HTR6 116/4885AVPR1A 1/4885
US-20070021463-A1 Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives AVPR1A, AVPR2, AVPR1B PRPS1 4582/4885HTR6 116/4885AVPR1A 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.