SCHEMBL2516883

SCHEMBL2516883

O=C(c1cn(Cc2cc(F)cc(F)c2)c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ncccc12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 18/20 0.60
OXTR P30559 1/20 0.43
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR1 P21554 1/20 0.36
AVPR2 P30518 1/20 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
SCHEMBL2522311 0.88 AVPR1A (0.60) AVPR1AOXTRMEN1KMT2ACNR1
SCHEMBL4358878 0.87 AVPR1A (0.71) AVPR1AOXTRMEN1KMT2AAVPR2
SCHEMBL3400283 0.82 AVPR1A (0.80) AVPR1AOXTRCNR1
SCHEMBL4360808 0.81 AVPR1A (0.69) AVPR1AOXTRMEN1KMT2AAVPR2
Hydrochloric Acid SCHEMBL2515454 0.81 AVPR1A (0.78) AVPR1AOXTRCNR1
SCHEMBL4355933 0.81 AVPR1A (0.58) AVPR1AOXTRMEN1KMT2A
SCHEMBL2513154 0.81 AVPR1A (0.65) AVPR1AOXTRCNR1
SCHEMBL2513152 0.81 AVPR1A (0.65) AVPR1AOXTRCNR1
SCHEMBL2514280 0.81 AVPR1A (0.79) AVPR1AOXTRCNR1
SCHEMBL4357772 0.80 AVPR1A (0.72) AVPR1AOXTRMEN1KMT2AAVPR2

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
EP-2125827-A1 AZASPIRO DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-12-02 EP claimed
WO-2008080844-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 WO 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-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-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 22/4885MEN1 2363/4885
US-20080161332-A1 AZASPIRO DERIVATIVES AVPR1A, HTR5A, HTR1A AVPR1A 1/4885OXTR 22/4885MEN1 2363/4885
US-20080161333-A1 AZASPIRO DERIVATIVES AVPR1A, HTR5A, HTR1A AVPR1A 1/4885OXTR 22/4885MEN1 2363/4885

“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.