SCHEMBL2232306

SCHEMBL2232306

O=C(O)N1CCN(Cc2ccc(CCOc3cccc(Cl)c3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
F10 P00742 1/20 0.53
FAAH O00519 4/20 0.53
FFAR1 O14842 1/20 0.52
PPARG P37231 1/20 0.52
PPARD Q03181 1/20 0.52
KDM4E B2RXH2 3/20 0.51
TSHR P16473 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
HRH3 Q9Y5N1 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CYP2D6 P10635 1/20 0.50
ATM Q13315 1/20 0.49
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL13582124 0.87 SIGMAR1 (0.54) SMN1; SMN2LMNAHTTFAAHKDM4E
SCHEMBL2232167 0.87 ALDH1A1 (0.60) SMN1; SMN2MAPK1HTTFAAHKDM4E
SCHEMBL13582916 0.87 KDM4E (0.57) SMN1; SMN2LMNAMAPK1FAAHKDM4E
SCHEMBL2232545 0.85 HRH3 (0.55) SMN1; SMN2LMNAFAAHKDM4EALDH1A1
SCHEMBL2231019 0.85 HRH3 (0.58) SMN1; SMN2HTTFAAHKDM4EALDH1A1
SCHEMBL2233255 0.84 MEN1 (0.50) SMN1; SMN2LMNAHTTFAAHKDM4E
SCHEMBL2236668 0.84 ALDH1A1 (0.58) SMN1; SMN2LMNAFAAHKDM4EALDH1A1
SCHEMBL3985948 0.83 HRH3 (0.67) SMN1; SMN2LMNAMAPK1HTTKDM4E
SCHEMBL2236136 0.82 FAAH (0.55) SMN1; SMN2LMNAMAPK1FAAHFFAR1
SCHEMBL2237822 0.81 HRH3 (0.58) SMN1; SMN2LMNAMAPK1FAAHKDM4E

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 SMN1; SMN2 4081/4885LMNA 2547/4885MAPK1 1860/4885

“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.