SCHEMBL825326

SCHEMBL825326

CNC(=O)Cn1cc(C(=O)N2CCC(n3nnc4ccccc43)CC2)c2ccc(Cl)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 4/20 0.47
AVPR1A P37288 3/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
USP2 O75604 3/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
CNR1 P21554 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
CHRM4 P08173 1/20 0.42
ALPL P05186 1/20 0.41

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
SCHEMBL825281 0.89 AVPR1A (0.56) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL825328 0.89 MEN1 (0.47) MEN1NPC1RAB9AKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL828376 0.88 MEN1 (0.47) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL825151 0.86 AVPR1A (0.56) MEN1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL825279 0.80 HSD11B1 (0.47) AVPR1ACNR1
SCHEMBL825201 0.78 AVPR1A (0.48) AVPR1ACNR1
SCHEMBL612430 0.78 AVPR1A (0.48) MEN1KMT2AALDH1A1AVPR1ACNR1
SCHEMBL613563 0.78 CNR1 (0.47) AVPR1ACNR1
SCHEMBL613528 0.77 MEN1 (0.55) MEN1KMT2AALDH1A1AVPR1AMAPT
SCHEMBL614775 0.76 RBP4 (0.53) AVPR1ACNR1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125785-B1 INDOLE-3-YL-CARBONYL-PIPERIDINE- DERIVATIVES FOR THE TREATMENT OF ANXIETY AND DEPRESSIVE DISORDERS VIA V1A RECEPTOR ANTAGONISM HOFFMANN LA ROCHE (CH) 2011-11-16 EP claimed
WO-2011132443-A1 SURFACE ACOUSTIC WAVE DEVICE AND MANUFACTURING METHOD OF SAME 株式会社村田製作所 (JP) 2011-10-27 WO claimed
EP-2125785-A1 INDOLES F. Hoffmann-Roche AG (CH) 2009-12-02 EP claimed
WO-2008080842-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 WO claimed
US-20080167344-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 US claimed
US-8143281-B2 Indoles HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
US-8143281-B2 Indoles HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
US-8143281-B2 Indoles HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
EP-2125785-B1 INDOLE-3-YL-CARBONYL-PIPERIDINE- DERIVATIVES FOR THE TREATMENT OF ANXIETY AND DEPRESSIVE DISORDERS VIA V1A RECEPTOR ANTAGONISM HOFFMANN LA ROCHE (CH) 2011-11-16 EP disclosed
WO-2011132443-A1 SURFACE ACOUSTIC WAVE DEVICE AND MANUFACTURING METHOD OF SAME 株式会社村田製作所 (JP) 2011-10-27 WO disclosed
EP-2125785-A1 INDOLES F. Hoffmann-Roche AG (CH) 2009-12-02 EP disclosed
WO-2008080842-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 WO disclosed
WO-2008080842-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 WO disclosed
US-20080167344-A1 INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 US disclosed
US-20080161315-A1 INDOLES HOFFMANN-LA ROCHE, INC. 2008-07-03 US disclosed
US-20080161315-A1 INDOLES HOFFMANN-LA ROCHE, INC. 2008-07-03 US disclosed
US-20080161315-A1 INDOLES HOFFMANN-LA ROCHE, INC. 2008-07-03 US disclosed
US-20080161316-A1 INDOLES HOFFMANN-LA ROCHE, INC. 2008-07-03 US disclosed
US-20080161316-A1 INDOLES HOFFMANN-LA ROCHE, INC. 2008-07-03 US disclosed
US-20080161316-A1 INDOLES HOFFMANN-LA ROCHE, INC. 2008-07-03 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 (3 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-20080161315-A1 INDOLES AVPR1A, HTR1A, AVPR1B MEN1 2419/4885NPC1 4152/4885RAB9A 1880/4885
US-20080167344-A1 INDOLES AVPR1A, HTR1A, AVPR1B MEN1 2419/4885NPC1 4152/4885RAB9A 1880/4885
US-20080161316-A1 INDOLES AVPR1A, HTR1A, AVPR1B MEN1 2419/4885NPC1 4152/4885RAB9A 1880/4885

“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.