SCHEMBL2513152

SCHEMBL2513152

O=C(c1cn(C[C@@H]2CCCN2C(=O)O)c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ncccc12

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 13/20 0.65
CNR1 P21554 4/20 0.43
OXTR P30559 1/20 0.41
CNR2 P34972 1/20 0.36
F2 P00734 2/20 0.36

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
SCHEMBL2513154 1.00 AVPR1A (0.65) AVPR1ACNR1OXTRCNR2F2
SCHEMBL2514280 0.91 AVPR1A (0.79) AVPR1ACNR1OXTRCNR2
SCHEMBL8167559 0.90 AVPR1A (0.62) AVPR1ACNR1OXTRCNR2
SCHEMBL2516015 0.90 AVPR1A (0.62) AVPR1ACNR1OXTRCNR2
SCHEMBL2518987 0.88 AVPR1A (0.65) AVPR1ACNR1OXTRCNR2F2
SCHEMBL2518989 0.88 AVPR1A (0.65) AVPR1ACNR1OXTRCNR2F2
SCHEMBL3400283 0.87 AVPR1A (0.80) AVPR1ACNR1OXTRCNR2
Hydrochloric Acid SCHEMBL2515454 0.86 AVPR1A (0.78) AVPR1ACNR1OXTRCNR2
SCHEMBL2524187 0.85 AVPR1A (0.68) AVPR1ACNR1OXTRCNR2F2
SCHEMBL2524189 0.85 AVPR1A (0.68) AVPR1ACNR1OXTRCNR2F2

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-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-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
EP-2125827-B1 AZASPIRO DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-11-03 EP disclosed
EP-2125827-A1 AZASPIRO DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-12-02 EP 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
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

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 1/4885CNR1 31/4885OXTR 22/4885
US-20080161332-A1 AZASPIRO DERIVATIVES AVPR1A, HTR5A, HTR1A AVPR1A 1/4885CNR1 31/4885OXTR 22/4885
US-20080161333-A1 AZASPIRO DERIVATIVES AVPR1A, HTR5A, HTR1A AVPR1A 1/4885CNR1 31/4885OXTR 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.