SCHEMBL3098960

SCHEMBL3098960

O=C(Cn1cc(C(=O)N2CCC(n3c(=O)n(CC(=O)N4CCCCC4)c4ccccc43)CC2)c2ccc(Cl)cc21)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.55
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
AVPR1A P37288 2/20 0.48
CNR1 P21554 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL3086554 0.84 ENPP2 (0.53) ENPP2AVPR1ACNR1KMT2AMEN1
SCHEMBL4355909 0.73 AVPR1A (0.64) GAAAVPR1ACNR1KMT2AMEN1
SCHEMBL615490 0.72 AVPR1A (0.60) LMNATSHRAVPR1ACNR1KMT2A
SCHEMBL615814 0.72 AVPR1A (0.48) GAALMNATSHRAVPR1ACNR1
SCHEMBL3095710 0.72 AVPR1A (0.65) AVPR1A
SCHEMBL825279 0.72 HSD11B1 (0.47) ENPP2AVPR1ACNR1
Hydrochloric Acid SCHEMBL613177 0.72 AVPR1A (0.48) GAALMNATSHRAVPR1ACNR1
SCHEMBL4356055 0.72 AVPR1A (0.59) GAALMNATSHRAVPR1ACNR1
SCHEMBL4359434 0.72 AVPR1A (0.86) GAAAVPR1ACNR1KMT2AMEN1
SCHEMBL4759148 0.72 AVPR1A (0.61) GAALMNATSHRAVPR1ACNR1

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 3523/4885GAA 4794/4885LMNA 747/4885
US-20070021463-A1 Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives AVPR1A, AVPR2, AVPR1B ENPP2 3523/4885GAA 4794/4885LMNA 747/4885

“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.