SCHEMBL2236220

SCHEMBL2236220

CC(C)(C)OC(=O)N1CCN(Cc2ccc(CCO)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 1/20 0.54
▸ EGLN1 Q9GZT9 1/20 0.54
▸ CHRM2 P08172 1/20 0.48
▸ CHRM4 P08173 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.48
▸ PLA2G7 Q13093 1/20 0.47
▸ MGLL Q99685 1/20 0.47
▸ ABHD6 Q9BV23 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ENPP2 Q13822 1/20 0.46
▸ TP53 P04637 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ IDO1 P14902 1/20 0.44

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
SCHEMBL4938599 0.89 VEGFA (0.56) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL29910448 0.87 GLS (0.52) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL4710410 0.87 GLS (0.52) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL5536182 0.86 VEGFA (0.68) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL4156092 0.86 VEGFA (0.58) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL2858333 0.86 TP53 (0.58) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL18608789 0.86 MEN1 (0.58) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL2363123 0.86 VEGFA (0.56) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL23250104 0.85 VEGFA (0.55) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL265853 0.85 VEGFA (0.55) VEGFAEGLN1CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528897-B9 DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMA CO LTD (JP) 2015-04-22 — — EP disclosed
EP-2528897-B1 DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMA CO LTD (JP) 2014-10-15 — — EP disclosed
US-8722663-B2 Di-substituted pyridine derivatives as anticancers OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-05-13 — — US disclosed
EP-2528897-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS Otsuka Pharmaceutical Co., Ltd. (JP) 2012-12-05 — — EP disclosed
US-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-08 — — US disclosed
WO-2011093524-A9 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-01 — — WO disclosed
WO-2011093524-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-04 — — 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 (1 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-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS TPD52L2, CCNE2, CDK2 VEGFA 3556/4885EGLN1 1172/4885CHRM2 896/4885

“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.

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