SCHEMBL97860

SCHEMBL97860

O=[C]CCc1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
DPP4 P27487 7/20 0.38
DPP7 Q9UHL4 4/20 0.38
RIPK1 Q13546 2/20 0.37
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
DPP8 Q6V1X1 4/20 0.35
DPP9 Q86TI2 4/20 0.35
MMP2 P08253 2/20 0.34

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
SCHEMBL4847571 0.84 DAO (0.46) IDO1AGXTDAO
SCHEMBL18979138 0.81 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10683292 0.81
SCHEMBL7700255 0.80 CA3 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4718190 0.80 MPO (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4837810 0.77 HDAC1 (0.37) DPP4
SCHEMBL4847066 0.76 RIPK1 (0.39) DPP4DPP7RIPK1CES2CES1
SCHEMBL5538107 0.75 TAAR1 (0.56) IDO1DAO
SCHEMBL441642 0.74 TAAR1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4846059 0.73 RIPK1 (0.35) RIPK1CES2CES1

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 PSEN1 3209/4885PSEN2 3577/4885APH1B 3829/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 PSEN1 4458/4885PSEN2 4547/4885APH1B 4745/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 PSEN1 4458/4885PSEN2 4547/4885APH1B 4745/4885

“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.