SCHEMBL2237822

SCHEMBL2237822

Cc1ccc(OCCc2ccc(CN3CCN(C(=O)O)CC3)cc2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.58
LMNA P02545 2/20 0.54
FAAH O00519 3/20 0.48
GPR183 P32249 1/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 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
SCHEMBL2234305 0.90 HRH3 (0.47) HRH3LMNAFAAHGPR183KDM4E
SCHEMBL2233436 0.87 SMN1; SMN2 (0.57) HRH3LMNAFAAHKDM4EALDH1A1
SCHEMBL13582276 0.86 SMN1; SMN2 (0.47) HRH3LMNAFAAHKDM4EMEN1
SCHEMBL2232167 0.85 ALDH1A1 (0.60) HRH3FAAHKDM4EMEN1ALDH1A1
SCHEMBL2231019 0.85 HRH3 (0.58) HRH3FAAHGPR183KDM4EMEN1
SCHEMBL2232206 0.84 POLB (0.57) HRH3LMNAFAAHKDM4EALDH1A1
SCHEMBL13582498 0.84 KDM4E (0.65) HRH3LMNAFAAHKDM4EMEN1
SCHEMBL2232052 0.84 POLB (0.57) HRH3LMNAFAAHKDM4EALDH1A1
SCHEMBL2235098 0.84 HRH3 (0.56) HRH3LMNAFAAHKDM4EALDH1A1
SCHEMBL2236668 0.84 ALDH1A1 (0.58) LMNAFAAHGPR183KDM4EALDH1A1

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 663/4885LMNA 2547/4885FAAH 4663/4885

“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.