SCHEMBL2297134

SCHEMBL2297134

CCCc1ccc(OCc2ccc(CN3CCN(C(=O)O)CC3)cc2F)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.54
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
FAAH O00519 3/20 0.44
FFAR1 O14842 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL2234005 0.89 HRH3 (0.55) HRH3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL2353915 0.87 FAAH (0.51) HRH3KDM4EALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL2235671 0.82 HRH3 (0.47) HRH3KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL2233316 0.81 HRH3 (0.55) HRH3ALDH1A1FAAHFFAR1
SCHEMBL2293330 0.80 DRD3 (0.53) HRH3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL2233345 0.76 HRH3 (0.47) HRH3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL2231623 0.75 KDM4E (0.67) HRH3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL2234396 0.75 HRH3 (0.73) HRH3FAAH
SCHEMBL16673566 0.75 FAAH (0.70) HRH3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL2933405 0.74 ALDH1A1 (0.61) KDM4EALDH1A1LMNASMN1; SMN2POLB

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 HRH3 663/4885KDM4E 719/4885ALDH1A1 314/4885

“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.