SCHEMBL249869

SCHEMBL249869

N#Cc1ccc(C2(O)CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
OPRK1 P41145 1/20 0.53
OPRL1 P41146 1/20 0.53
CYP19A1 P11511 2/20 0.44
HRH3 Q9Y5N1 3/20 0.43
CCR1 P32246 1/20 0.43
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TRPA1 O75762 1/20 0.40
DRD2 P14416 1/20 0.40
POLB P06746 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MMP3 P08254 1/20 0.38

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 0.98 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1CYP19A1
SCHEMBL517455 0.94 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1CYP19A1
SCHEMBL4821949 0.90 OPRL1 (0.57) OPRM1OPRD1OPRK1OPRL1CYP19A1
SCHEMBL654295 0.82 DRD2 (0.61) OPRM1OPRD1OPRK1OPRL1CYP19A1
SCHEMBL249601 0.81 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1CYP19A1
SCHEMBL16762049 0.81 OPRL1 (0.50) OPRM1OPRD1OPRK1OPRL1CYP19A1
SCHEMBL744125 0.79 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1CYP19A1
SCHEMBL19226358 0.78 OPRM1 (0.58) OPRM1OPRD1OPRK1OPRL1HRH3
SCHEMBL21077930 0.78 OPRL1 (0.58) OPRM1OPRD1OPRK1OPRL1CYP19A1
SCHEMBL30586005 0.77 ESR1 (0.52) OPRM1OPRD1OPRK1OPRL1CYP19A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888256-A2 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE Board of Regents, The University of Texas System (US) 2015-07-01 EP disclosed
US-20140073634-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE Institute For Applied Cancer Science/The University of Texas MD Anderson Cancer Center (US) 2014-03-13 US disclosed
US-20140073634-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE Institute For Applied Cancer Science/The University of Texas MD Anderson Cancer Center (US) 2014-03-13 US disclosed
WO-2014031928-A2 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE JONES PHILIP (US) 2014-02-27 WO disclosed
WO-2014031928-A2 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE JONES PHILIP (US) 2014-02-27 WO disclosed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 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 (2 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 OPRM1 1325/4885OPRD1 378/4885OPRK1 520/4885
US-20140073634-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE HIF1AN, HIF1A, EGLN3 OPRM1 2923/4885OPRD1 3176/4885OPRK1 2570/4885

“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.