SCHEMBL825204

SCHEMBL825204

O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC(n2c(=O)oc3ccccc32)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.71
HSD11B1 P28845 2/20 0.50
OXTR P30559 1/20 0.50
CHRM1 P11229 4/20 0.47
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
TNKS O95271 1/20 0.44
PARP1 P09874 1/20 0.44
PARP2 Q9UGN5 1/20 0.44

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
SCHEMBL3082472 0.83 AVPR1A (1.00) AVPR1AHSD11B1CHRM1
SCHEMBL3093900 0.77 AVPR1A (0.65) AVPR1AOXTRCHRM1
SCHEMBL825280 0.77 AVPR1A (0.67) AVPR1AOXTR
SCHEMBL825279 0.76 HSD11B1 (0.47) AVPR1AHSD11B1CHRM1ADRA1DADRA1A
SCHEMBL614997 0.76 AVPR1A (1.00) AVPR1AOXTR
SCHEMBL615021 0.75 AVPR1A (0.71) AVPR1AOXTR
SCHEMBL825236 0.75 AVPR1A (0.62) AVPR1AHSD11B1OXTR
SCHEMBL28771078 0.74 AVPR1A (0.63) AVPR1AOXTRCHRM1
SCHEMBL614897 0.73 AVPR1A (0.75) AVPR1AOXTR
SCHEMBL615518 0.73 AVPR1A (0.85) AVPR1AHSD11B1OXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143281-B2 Indoles HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US claimed
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-20080161316-A1 INDOLES HOFFMANN-LA ROCHE, INC. 2008-07-03 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
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 AVPR1A 1/4885HSD11B1 916/4885OXTR 28/4885
US-20080167344-A1 INDOLES AVPR1A, HTR1A, AVPR1B AVPR1A 1/4885HSD11B1 916/4885OXTR 28/4885
US-20080161316-A1 INDOLES AVPR1A, HTR1A, AVPR1B AVPR1A 1/4885HSD11B1 916/4885OXTR 28/4885

“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.