SCHEMBL2236668

SCHEMBL2236668

O=C(O)N1CCN(Cc2ccc(CCOc3ccc4ccccc4c3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPT P10636 1/20 0.58
NPC1 O15118 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.52
FAAH O00519 4/20 0.52
GPR183 P32249 1/20 0.50

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
SCHEMBL2232873 0.87 MAPT (0.50) ALDH1A1KDM4EMAPTSMN1; SMN2FAAH
SCHEMBL2231019 0.85 HRH3 (0.58) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL2232306 0.84 SMN1; SMN2 (0.53) ALDH1A1KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL2237822 0.84 HRH3 (0.58) ALDH1A1KDM4ENPC1SMN1; SMN2LMNA
SCHEMBL2232545 0.83 HRH3 (0.55) ALDH1A1KDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL2236459 0.83 HRH3 (0.57) FAAH
SCHEMBL13582916 0.83 KDM4E (0.57) ALDH1A1KDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL2232167 0.83 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL13582607 0.83 HRH3 (0.60) KDM4ENPC1FAAH
SCHEMBL13582124 0.83 SIGMAR1 (0.54) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA

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 ALDH1A1 314/4885KDM4E 719/4885MAPT 4703/4885

“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.