SCHEMBL2233553

SCHEMBL2233553

Fc1ccc(OCCc2ccc(CN3CCNCC3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
HRH3 Q9Y5N1 3/20 0.49
MEN1 O00255 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
ADRA2C P18825 1/20 0.49
CCR2 P41597 1/20 0.49
CXCL12 P48061 1/20 0.49
BLM P54132 1/20 0.49
CXCR4 P61073 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
TSHR P16473 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
Hydrochloric Acid SCHEMBL2231679 0.99 CXCR4 (0.50) LTA4HHRH3MEN1CHRM2CHRM1
SCHEMBL2233379 0.94 HTR2A (0.49) LTA4HHRH3MEN1CHRM2CHRM1
SCHEMBL2231202 0.89 DRD2 (0.53) LTA4HHRH3MEN1CHRM2CHRM1
SCHEMBL2236508 0.87 LTA4H (0.49) LTA4HHRH3MEN1CHRM2CHRM1
SCHEMBL2236728 0.87 SIGMAR1 (0.54) LTA4HHRH3SIGMAR1TSHR
SCHEMBL2231787 0.87 CXCR4 (0.59) LTA4HHRH3MEN1CHRM2CHRM1
SCHEMBL2231797 0.87 TSHR (0.54) LTA4HHRH3MEN1CHRM2CHRM1
SCHEMBL2232165 0.87 CXCR4 (0.59) LTA4HHRH3MEN1CHRM2CHRM1
SCHEMBL2294267 0.87 SIGMAR1 (0.54) LTA4HHRH3SIGMAR1TSHR
Hydrochloric Acid SCHEMBL2296823 0.87 DRD2 (0.52) LTA4HHRH3MEN1CHRM2CHRM1

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 LTA4H 3705/4885HRH3 663/4885MEN1 2854/4885

“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.