SCHEMBL2517838

SCHEMBL2517838

c1ccc(CN2CCC3(CC2)OCc2cccnc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.54
AVPR1A P37288 1/20 0.52
OPRM1 P35372 2/20 0.49
KCNH2 Q12809 2/20 0.49
ADRA2A P08913 1/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL4206840 0.80 SIGMAR1 (0.80) SIGMAR1
SCHEMBL2514601 0.80 SIGMAR1 (0.60) SIGMAR1AVPR1A
Hydrochloric Acid SCHEMBL2882074 0.79 SIGMAR1 (0.78) SIGMAR1
SCHEMBL1588585 0.76 AVPR1A (0.56) AVPR1AOPRM1KCNH2
SCHEMBL326696 0.76 SIGMAR1 (0.64) SIGMAR1HTR2A
SCHEMBL29535632 0.76 AVPR1A (0.60) AVPR1A
SCHEMBL2514268 0.76 SIGMAR1 (0.59) SIGMAR1
SCHEMBL16836098 0.76 AVPR1A (0.54) SIGMAR1AVPR1AOPRM1KCNH2
SCHEMBL16844857 0.76 AVPR1A (0.54) SIGMAR1AVPR1AKCNH2
SCHEMBL2360705 0.75 SIGMAR1 (0.73) SIGMAR1

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-20170246153-A1 SPIRO-THIAZOLONES HOFFMANN-LA ROCHE INC. (US) 2017-08-31 US disclosed
US-20170246153-A1 SPIRO-THIAZOLONES HOFFMANN-LA ROCHE INC. (US) 2017-08-31 US disclosed
WO-2016075181-A1 SPIRO-THIAZOLONES F. HOFFMANN-LA ROCHE AG (CH) 2016-05-19 WO 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-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
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 (4 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 SIGMAR1 78/4885AVPR1A 1/4885OPRM1 55/4885
US-20080161332-A1 AZASPIRO DERIVATIVES AVPR1A, HTR5A, HTR1A SIGMAR1 78/4885AVPR1A 1/4885OPRM1 55/4885
US-20080161333-A1 AZASPIRO DERIVATIVES AVPR1A, HTR5A, HTR1A SIGMAR1 78/4885AVPR1A 1/4885OPRM1 55/4885
US-20170246153-A1 SPIRO-THIAZOLONES AVPR1A, AVPR2, AVPR1B SIGMAR1 113/4885AVPR1A 1/4885OPRM1 234/4885

“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.