SCHEMBL2235879

SCHEMBL2235879

CC(C)Oc1ccc(OCCc2ccc(CN3CCN(C(=O)O)CC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.59
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 2/20 0.48
POLB P06746 1/20 0.48
S1PR1 P21453 1/20 0.47
S1PR5 Q9H228 1/20 0.47
MAPK1 P28482 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL16673681 0.90 FAAH (0.70) FAAHKDM4ELMNASMN1; SMN2PKM
SCHEMBL2231731 0.88 HRH3 (0.58) FAAHKDM4ELMNASMN1; SMN2PKM
SCHEMBL2232804 0.88 HRH3 (0.58) FAAHKDM4ELMNASMN1; SMN2PKM
SCHEMBL2233436 0.87 SMN1; SMN2 (0.57) FAAHKDM4ELMNASMN1; SMN2POLB
SCHEMBL2232052 0.87 POLB (0.57) FAAHKDM4ELMNASMN1; SMN2PKM
SCHEMBL13582498 0.87 KDM4E (0.65) FAAHKDM4ELMNASMN1; SMN2PKM
SCHEMBL2232206 0.87 POLB (0.57) FAAHKDM4ELMNASMN1; SMN2PKM
SCHEMBL2232545 0.85 HRH3 (0.55) FAAHKDM4ELMNASMN1; SMN2HRH3
SCHEMBL2236459 0.85 HRH3 (0.57) FAAHS1PR5HRH3
SCHEMBL2236366 0.85 HRH3 (0.61) FAAHKDM4ELMNASMN1; SMN2S1PR1

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 FAAH 4663/4885KDM4E 719/4885LMNA 2547/4885

“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.