SCHEMBL2514218

SCHEMBL2514218

OCc1ccncc1C1(O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.56
POLB P06746 1/20 0.53
ALDH1A1 P00352 2/20 0.50
CCR3 P51677 1/20 0.50
LMNA P02545 1/20 0.50
CYP2D6 P10635 2/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
CHRM2 P08172 1/20 0.46
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
HSD17B10 Q99714 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL2877688 0.84 OPRL1 (0.77) OPRL1POLBALDH1A1CCR3CYP2D6
SCHEMBL2360601 0.80 OPRL1 (0.70) OPRL1POLBALDH1A1CCR3CYP2D6
SCHEMBL2328504 0.80 OPRL1 (0.70) OPRL1POLBALDH1A1CCR3CYP2D6
SCHEMBL17586464 0.78 OPRL1 (0.54) OPRL1POLBALDH1A1CCR3LMNA
SCHEMBL639574 0.76 OPRL1 (0.73) OPRL1POLBALDH1A1CCR3LMNA
SCHEMBL350525 0.76 OPRL1 (0.65) OPRL1POLBALDH1A1CCR3CYP2D6
SCHEMBL2515120 0.76 OPRL1 (0.56) OPRL1POLBALDH1A1CCR3LMNA
SCHEMBL6911078 0.75 OPRL1 (0.71) OPRL1POLBALDH1A1CCR3CYP2D6
SCHEMBL2323985 0.74 OPRL1 (0.73) OPRL1POLBALDH1A1CCR3CYP2D6
SCHEMBL11195174 0.73 OPRL1 (0.77) OPRL1POLBALDH1A1CCR3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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 OPRL1 131/4885POLB 3468/4885ALDH1A1 516/4885
US-20080161332-A1 AZASPIRO DERIVATIVES AVPR1A, HTR5A, HTR1A OPRL1 131/4885POLB 3468/4885ALDH1A1 516/4885
US-20080161333-A1 AZASPIRO DERIVATIVES AVPR1A, HTR5A, HTR1A OPRL1 131/4885POLB 3468/4885ALDH1A1 516/4885

“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.