SCHEMBL2234005

SCHEMBL2234005

O=C(O)N1CCN(Cc2ccc(COc3ccc(F)cc3)c(F)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.55
S1PR5 Q9H228 1/20 0.49
MAOB P27338 1/20 0.47
ALDH1A1 P00352 2/20 0.47
PRKAA2 P54646 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FAAH O00519 1/20 0.46

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
SCHEMBL2233316 0.91 HRH3 (0.55) HRH3S1PR5MAOBALDH1A1PRKAA2
SCHEMBL2297134 0.89 HRH3 (0.54) HRH3ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL2353915 0.88 FAAH (0.51) HRH3ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL2234396 0.86 HRH3 (0.73) HRH3S1PR5PRKAA2FAAH
SCHEMBL2293330 0.84 DRD3 (0.53) HRH3ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL2233345 0.81 HRH3 (0.47) HRH3ALDH1A1KDM4ELMNASMN1; SMN2
Hydrochloric Acid SCHEMBL2231828 0.80 HRH3 (0.46) HRH3S1PR5MAOB
SCHEMBL2236459 0.80 HRH3 (0.57) HRH3S1PR5FAAH
SCHEMBL21391900 0.78 FAAH (0.65) FAAH
SCHEMBL2303680 0.78 HRH3 (0.55) HRH3S1PR5ALDH1A1KDM4ELMNA

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 663/4885S1PR5 3758/4885MAOB 783/4885

“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.