SCHEMBL2231019

SCHEMBL2231019

O=C(O)N1CCN(Cc2ccc(CCOc3ccc(Cl)c(Cl)c3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.58
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.52
FAAH O00519 3/20 0.49
SIGMAR1 Q99720 3/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KCNH2 Q12809 4/20 0.46
S1PR1 P21453 1/20 0.46
HTR2A P28223 1/20 0.46
S1PR5 Q9H228 1/20 0.46
CACNA1G O43497 2/20 0.46
GPR183 P32249 1/20 0.46
HRH1 P35367 1/20 0.45
CCR3 P51677 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL2232545 0.86 HRH3 (0.55) HRH3KDM4EALDH1A1SMN1; SMN2FAAH
SCHEMBL2237822 0.85 HRH3 (0.58) HRH3KDM4EALDH1A1SMN1; SMN2FAAH
SCHEMBL2236668 0.85 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2FAAHMAPT
SCHEMBL2232306 0.85 SMN1; SMN2 (0.53) HRH3KDM4EALDH1A1SMN1; SMN2FAAH
SCHEMBL2236459 0.84 HRH3 (0.57) HRH3FAAHS1PR5
SCHEMBL13582607 0.84 HRH3 (0.60) HRH3KDM4EPOLBFAAH
SCHEMBL2232052 0.83 POLB (0.57) HRH3KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL2235098 0.83 HRH3 (0.56) HRH3KDM4EALDH1A1SMN1; SMN2FAAH
SCHEMBL13581848 0.83 NPC1 (0.51) HRH3KDM4ESMN1; SMN2FAAH
SCHEMBL2232206 0.83 POLB (0.57) HRH3KDM4EALDH1A1SMN1; SMN2POLB

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 663/4885KDM4E 719/4885ALDH1A1 314/4885

“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.