SCHEMBL825327

SCHEMBL825327

CNCCn1cc(C(=O)N2CCC(N3C(=O)Cc4ccccc43)CC2)c2ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.47
HSD11B1 P28845 1/20 0.46
CNR1 P21554 1/20 0.43
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 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
Hydrochloric Acid SCHEMBL829428 0.99 AVPR1A (0.46) AVPR1AHSD11B1CNR1OPRM1OPRK1
SCHEMBL825277 0.92 OXTR (0.49) AVPR1AHSD11B1
SCHEMBL825146 0.91 OXTR (0.50) AVPR1AHSD11B1CNR1OPRM1OPRK1
SCHEMBL825148 0.89 AVPR1A (0.59) AVPR1AHSD11B1CNR1OPRM1OPRK1
SCHEMBL828756 0.89 AVPR1A (0.47) AVPR1AHSD11B1CNR1OPRM1OPRK1
SCHEMBL825201 0.89 AVPR1A (0.48) AVPR1AHSD11B1CNR1OPRM1OPRK1
SCHEMBL825238 0.85 AVPR1A (0.59) AVPR1AHSD11B1CNR1OPRM1OPRK1
SCHEMBL825145 0.84 AVPR1A (0.50) AVPR1AHSD11B1CNR1
SCHEMBL27786396 0.83 HSD11B1 (0.43) AVPR1AHSD11B1CNR1OPRM1OPRK1
SCHEMBL825323 0.83 OPRM1 (0.45) AVPR1AHSD11B1CNR1OPRM1OPRK1

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
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
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
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-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-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 AVPR1A 1/4885HSD11B1 916/4885CNR1 31/4885
US-20080167344-A1 INDOLES AVPR1A, HTR1A, AVPR1B AVPR1A 1/4885HSD11B1 916/4885CNR1 31/4885
US-20080161316-A1 INDOLES AVPR1A, HTR1A, AVPR1B AVPR1A 1/4885HSD11B1 916/4885CNR1 31/4885

“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.