SCHEMBL95512

SCHEMBL95512

[CH2]c1ccc(C(=O)N2CCC(Cc3ccccc3Cl)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPK14 Q16539 1/20 0.52
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MGLL Q99685 4/20 0.48
MAPT P10636 1/20 0.46
CCR3 P51677 1/20 0.45
SPR P35270 1/20 0.44

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
SCHEMBL96557 0.85 CYP2C9 (0.52) HTR2BCYP2C9CYP2C19MAPK14CA12
SCHEMBL95918 0.82 HTT (0.69) HTR2BCYP2C9CYP2C19MAPK14CA12
SCHEMBL6177917 0.80 CYP2C9 (0.57) HTR2BCYP2C9CYP2C19MAPK14MEN1
SCHEMBL94921 0.80 GAA (0.56) HTR2BCYP2C9CYP2C19MAPK14CA12
SCHEMBL96162 0.78 HTT (0.52) HTR2BCYP2C9CYP2C19MAPK14CA12
SCHEMBL1083455 0.78 CCR3 (0.65) HTR2BMAPK14MEN1KMT2AMGLL
SCHEMBL10719972 0.74 HTT (0.78) HTR2BCYP2C9CYP2C19MAPK14CA12
SCHEMBL17730097 0.74 HTT (0.69) HTR2BCYP2C9CYP2C19MAPK14CA12
SCHEMBL3172041 0.72 MAPT (0.57) MEN1KMT2AMAPT
SCHEMBL3459407 0.72 HTT (0.63) CA12CA1CA2CA9MEN1

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 11 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-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP 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-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB HTR2B 3605/4885CYP2C9 3609/4885CYP2C19 3445/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HTR2B 4201/4885CYP2C9 1680/4885CYP2C19 1094/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 HTR2B 4201/4885CYP2C9 1680/4885CYP2C19 1094/4885

“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.