SCHEMBL2232609

SCHEMBL2232609

CC(C)c1ccc(Oc2ccc3cc(CN4CCNCC4)ccc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.48
SCN9A Q15858 2/20 0.44
SCN7A Q01118 4/20 0.41
KCNH2 Q12809 4/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
HTR3A P46098 1/20 0.40
SLC6A4 P31645 1/20 0.39
LTA4H P09960 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CXCR4 P61073 1/20 0.37

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
SCHEMBL2230539 0.88 ACP1 (0.45) SCN7AKCNH2HTR3A
SCHEMBL13582633 0.84 ALDH1A1 (0.47) LTA4HHRH3
Hydrochloric Acid SCHEMBL2232719 0.79 CXCR4 (0.51) HTR6LTA4HHRH3CXCR4
SCHEMBL24695908 0.78 HTR6 (0.46) HTR6HTR3ASLC6A4HRH3CXCR4
SCHEMBL2233201 0.78 NPBWR1 (0.41) SCN9ASCN7AKCNH2SCN5ASCN2A
SCHEMBL12015808 0.74 SIGMAR1 (0.59) HTR6HRH3CXCR4
SCHEMBL24694886 0.74 HRH3 (0.47) KCNH2HTR3ASLC6A4HRH3CXCR4
Hydrochloric Acid SCHEMBL29206910 0.73 CXCR4 (0.60) HTR6HRH3CXCR4
SCHEMBL2234825 0.72 HRH3 (0.51) HTR6LTA4HHRH3CXCR4
SCHEMBL2230847 0.72 HRH3 (0.51) HTR6LTA4HHRH3CXCR4

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 8 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
CN-102791690-A Di-substituted pyridine derivatives as anticancers OTSUKA PHARMA CO LTD 2012-11-21 CN 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 HTR6 3306/4885SCN9A 4587/4885SCN7A 4287/4885

“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.