SCHEMBL2514271

SCHEMBL2514271

O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC2(CC1)OCc1cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 19/20 1.00
OXTR P30559 1/20 0.74

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
SCHEMBL2512006 0.85 AVPR1A (1.00) AVPR1AOXTR
SCHEMBL4360122 0.85 AVPR1A (1.00) AVPR1AOXTR
SCHEMBL2513421 0.82 AVPR1A (1.00) AVPR1AOXTR
SCHEMBL4356011 0.77 AVPR1A (0.85) AVPR1AOXTR
SCHEMBL3056434 0.76 AVPR1A (0.65) AVPR1AOXTR
SCHEMBL2522311 0.75 AVPR1A (0.60) AVPR1AOXTR
SCHEMBL3397802 0.75 AVPR1A (0.78) AVPR1AOXTR
Hydrochloric Acid SCHEMBL2515836 0.75 AVPR1A (0.77) AVPR1AOXTR
SCHEMBL614131 0.74 AVPR1A (0.63) AVPR1AOXTR
SCHEMBL4364065 0.74 AVPR1A (0.87) AVPR1AOXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034937-B2 e.g.1'-[(6-chloro-1H-indol-3-yl)carbonyl]-7H-spiro[furo[3,4-b]pyridine-5,4'-piperidine]; vasopressin V1a receptor antagonist; antidepressant and anxiolytic agent; dysmenorrhea, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome HOFFMANN-LA ROCHE INC. (US) 2011-10-11 US claimed
EP-2125827-B1 AZASPIRO DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-11-03 EP claimed
US-20080161332-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 US claimed
US-8044202-B2 e.g.1'-[(6-chloro-1H-indol-3-yl)carbonyl]-7H-spiro[pentane[3,4-b]pyridine-5,4'-piperidine]; vasopressin V1a receptor antagonist; antidepressant and anxiolytic agent; dysmenorrhea, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-8044202-B2 e.g.1'-[(6-chloro-1H-indol-3-yl)carbonyl]-7H-spiro[pentane[3,4-b]pyridine-5,4'-piperidine]; vasopressin V1a receptor antagonist; antidepressant and anxiolytic agent; dysmenorrhea, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-8044202-B2 e.g.1'-[(6-chloro-1H-indol-3-yl)carbonyl]-7H-spiro[pentane[3,4-b]pyridine-5,4'-piperidine]; vasopressin V1a receptor antagonist; antidepressant and anxiolytic agent; dysmenorrhea, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-8039624-B2 Vasopressin receptor antagonist; antidepressants; anxiolytic agents; dysmemorrhea; hypotensive agents;obsessive complusive disorder; cirrhosis; nephrotic syndrome HOFFMAN-LA ROCHE INC. (US) 2011-10-18 US disclosed
US-8039624-B2 Vasopressin receptor antagonist; antidepressants; anxiolytic agents; dysmemorrhea; hypotensive agents;obsessive complusive disorder; cirrhosis; nephrotic syndrome HOFFMAN-LA ROCHE INC. (US) 2011-10-18 US disclosed
US-8039624-B2 Vasopressin receptor antagonist; antidepressants; anxiolytic agents; dysmemorrhea; hypotensive agents;obsessive complusive disorder; cirrhosis; nephrotic syndrome HOFFMAN-LA ROCHE INC. (US) 2011-10-18 US disclosed
US-8034937-B2 e.g.1'-[(6-chloro-1H-indol-3-yl)carbonyl]-7H-spiro[furo[3,4-b]pyridine-5,4'-piperidine]; vasopressin V1a receptor antagonist; antidepressant and anxiolytic agent; dysmenorrhea, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome HOFFMANN-LA ROCHE INC. (US) 2011-10-11 US disclosed
US-8034937-B2 e.g.1'-[(6-chloro-1H-indol-3-yl)carbonyl]-7H-spiro[furo[3,4-b]pyridine-5,4'-piperidine]; vasopressin V1a receptor antagonist; antidepressant and anxiolytic agent; dysmenorrhea, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome HOFFMANN-LA ROCHE INC. (US) 2011-10-11 US disclosed
US-20080281103-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-11-13 US disclosed
WO-2008080844-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 WO disclosed
WO-2008080844-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 WO disclosed
US-20080161333-A1 AZASPIRO DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-03 US disclosed
US-20080161333-A1 AZASPIRO DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-03 US disclosed
US-20080161333-A1 AZASPIRO DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-03 US disclosed
US-20080161332-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 US disclosed
US-20080161332-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 US disclosed
US-20080161332-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 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-20080281103-A1 AZASPIRO DERIVATIVES AVPR1A, HTR5A, HTR1A AVPR1A 1/4885OXTR 22/4885
US-20080161332-A1 AZASPIRO DERIVATIVES AVPR1A, HTR5A, HTR1A AVPR1A 1/4885OXTR 22/4885
US-20080161333-A1 AZASPIRO DERIVATIVES AVPR1A, HTR5A, HTR1A AVPR1A 1/4885OXTR 22/4885

“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.