SCHEMBL517455

SCHEMBL517455

N#Cc1ccc(C2(O)CCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
OPRL1 P41146 1/20 0.54
CCR1 P32246 1/20 0.44
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CYP19A1 P11511 2/20 0.41
DRD2 P14416 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40

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
SCHEMBL4445503 0.96 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL249869 0.94 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL4821949 0.91 OPRL1 (0.57) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL654295 0.84 DRD2 (0.61) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL249601 0.82 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL16762049 0.82 OPRL1 (0.50) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL744125 0.81 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL21077930 0.80 OPRL1 (0.58) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL19226358 0.80 OPRM1 (0.58) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL743942 0.78 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399287-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-12-14 US disclosed
US-20230399287-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-12-14 US disclosed
EP-4237404-A1 NOVEL COMPOUNDS Sitryx Therapeutics Limited (GB) 2023-09-06 EP disclosed
WO-2022090724-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 WO disclosed
WO-2022090724-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 WO disclosed
CN-103003269-B Heterocyclic radical benzyl pyrazole replaced and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-25 CN disclosed
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
CN-104245688-A Indole and indazole compounds that activate ampk PFIZER 2014-12-24 CN disclosed
EP-2569312-B1 SUBSTITUTED HETEROCYCLYL BENZYL PYRAZOLES, AND USE THEREOF BAYER IP GMBH (DE) 2014-03-26 EP disclosed
EP-1355907-A1 THIAZOLYL-, OXAZOLYL-, PYRROLYL-, AND IMIDAZOLYL-ACID AMIDE DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2003-10-29 EP disclosed
US-20030186974-A1 Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes MARFAT ANTHONY (US) 2003-10-02 US disclosed
US-20030130254-A1 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes MARFAT ANTHONY (US) 2003-07-10 US disclosed
US-6559168-B2 3',5'-cyclic nucleotide phosphodiesterases (PDEs); disease related to eosinophils, such as asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC 2003-05-06 US disclosed
US-20020123520-A1 Thiazolyl-, oxazolyl-, pyrrolyl-, and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2002-09-05 US disclosed
WO-2002060898-A1 THIAZOLYL-, OXAZOLYL-, PYRROLYL-, AND IMIDAZOLYL-ACID AMIDE DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
CN-1254335-A Nicotinamide derivatives PFIZER PROD INC (US) 2000-05-24 CN disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO 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-20030130254-A1 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, NOX1, NOX3 OPRM1 517/4885OPRD1 119/4885OPRK1 474/4885
US-20020123520-A1 Thiazolyl-, oxazolyl-, pyrrolyl-, and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, PDE4A OPRM1 604/4885OPRD1 221/4885OPRK1 590/4885
US-20030186974-A1 Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE3B OPRM1 666/4885OPRD1 149/4885OPRK1 589/4885
US-20230399287-A1 NOVEL COMPOUNDS CNKSR1, RORC, HLA-DRB1 OPRM1 4344/4885OPRD1 3272/4885OPRK1 3019/4885

“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.