SCHEMBL2230539

SCHEMBL2230539

COc1ccc(Oc2ccc3cc(CN4CCNCC4)ccc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.45
CHRM3 P20309 1/20 0.43
HTR3A P46098 1/20 0.43
POLB P06746 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KCNH2 Q12809 4/20 0.42
SCN7A Q01118 3/20 0.42
PDE1B Q01064 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SYK P43405 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
FAAH O00519 1/20 0.39

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
SCHEMBL2232609 0.88 HTR6 (0.48) HTR3AKCNH2SCN7A
SCHEMBL2232384 0.83 FAAH (0.53) POLBSIGMAR1FAAH
SCHEMBL11585517 0.81 HTR1A (0.55) CHRM3SIGMAR1SMN1; SMN2FAAH
SCHEMBL592479 0.77 SIGMAR1 (0.67) HTR3ASIGMAR1SMN1; SMN2
SCHEMBL24694886 0.76 HRH3 (0.47) HTR3ASIGMAR1KCNH2
SCHEMBL2232086 0.76 MAP4K4 (0.44) SMN1; SMN2
Hydrochloric Acid SCHEMBL6290497 0.76 SIGMAR1 (0.65) HTR3ASIGMAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL4464240 0.76 SIGMAR1 (0.65) HTR3ASIGMAR1SMN1; SMN2
SCHEMBL24695908 0.73 HTR6 (0.46) HTR3ASIGMAR1
SCHEMBL9397176 0.72 CXCR4 (0.71) HTR3ASIGMAR1SMN1; SMN2

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
CN-102791690-B As the disubstituted pyridines derivative of anticarcinogen OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2015-12-02 CN disclosed
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 ACP1 1969/4885CHRM3 2354/4885HTR3A 3656/4885

“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.