SCHEMBL96557

SCHEMBL96557

[CH2]c1ccc(C(=O)N2CCC(Cc3ccccc3F)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPK14 Q16539 1/20 0.52
F2 P00734 1/20 0.48
HTT P42858 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
NLN Q9BYT8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.45
HSD11B1 P28845 1/20 0.45
HTR2B P41595 3/20 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
SCHEMBL95512 0.85 HTR2B (0.52) CYP2C9CYP2C19MAPK14HTTCA12
SCHEMBL95078 0.82 CARM1 (0.49) HTTL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL95918 0.82 HTT (0.69) CYP2C9CYP2C19MAPK14HTTCA12
SCHEMBL20502324 0.80 CYP2C9 (0.53) CYP2C9CYP2C19MAPK14F2NLN
SCHEMBL28329339 0.76 EPHX2 (0.57) CYP2C9CYP2C19MAPK14F2NLN
SCHEMBL94921 0.74 GAA (0.56) CYP2C9CYP2C19MAPK14HTTCA12
SCHEMBL23002825 0.74 MEN1 (0.46) CYP2C9CYP2C19MAPK14F2HTT
SCHEMBL29566449 0.74 MEN1 (0.46) CYP2C9CYP2C19MAPK14F2HTT
SCHEMBL10719972 0.74 HTT (0.78) CYP2C9CYP2C19MAPK14HTTCA12
SCHEMBL3455691 0.74 HTT (0.69) CYP2C9CYP2C19MAPK14HTTCA12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US 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 (2 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-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CYP2C9 1680/4885CYP2C19 1094/4885MAPK14 1679/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CYP2C9 1680/4885CYP2C19 1094/4885MAPK14 1679/4885

“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.