SCHEMBL2232489

SCHEMBL2232489

CC(C)c1ccc(OCc2ccc(CN3CCN(C(=O)O)CC3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.74
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 1/20 0.60
RXRA P19793 1/20 0.59
RXRB P28702 1/20 0.59
FAAH O00519 2/20 0.57
KMT2A Q03164 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPC1 O15118 2/20 0.54
TP53 P04637 2/20 0.54
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL2233295 0.89 ALDH1A1 (0.64) HRH3ALDH1A1SMN1; SMN2HTTFAAH
SCHEMBL2231722 0.89 ALDH1A1 (0.64) HRH3ALDH1A1SMN1; SMN2HTTFAAH
SCHEMBL2231731 0.88 HRH3 (0.58) HRH3ALDH1A1SMN1; SMN2HTTFAAH
SCHEMBL2232804 0.88 HRH3 (0.58) HRH3ALDH1A1SMN1; SMN2HTTFAAH
SCHEMBL2357080 0.87 HRH3 (0.72) HRH3ALDH1A1SMN1; SMN2FAAHKMT2A
SCHEMBL2233177 0.87 HRH3 (0.57) HRH3ALDH1A1SMN1; SMN2HTTFAAH
SCHEMBL2231623 0.86 KDM4E (0.67) HRH3ALDH1A1SMN1; SMN2FAAHKMT2A
SCHEMBL13582238 0.86 HRH3 (0.73) HRH3ALDH1A1SMN1; SMN2FAAHKMT2A
SCHEMBL13582370 0.84 HRH3 (0.60) HRH3ALDH1A1SMN1; SMN2HTTFAAH
SCHEMBL2234396 0.84 HRH3 (0.73) HRH3FAAH

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 HRH3 663/4885ALDH1A1 314/4885SMN1; SMN2 4081/4885

“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.