SCHEMBL95281

SCHEMBL95281

[CH2]c1ccc(C(=O)NC2(C)CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
ROCK2 O75116 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
CTSL P07711 4/20 0.40
CTSB P07858 3/20 0.40
CTSS P25774 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ANO1 Q5XXA6 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.39
CTSK P43235 1/20 0.39
ABL1 P00519 1/20 0.38
ADRB2 P07550 1/20 0.38
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL2961563 0.98 CNR2 (0.47) CNR2ROCK2OPRM1OPRD1CTSL
SCHEMBL4309743 0.85 MEN1 (0.54) CNR2OPRM1OPRD1HDAC1HDAC6
SCHEMBL28149788 0.83 ANO1 (0.50) CNR2OPRM1OPRD1HDAC1ANO1
SCHEMBL10590807 0.83 CTSK (0.54) CNR2CTSLCTSBCTSSHDAC3
SCHEMBL29120775 0.81 LMNA (0.53) CNR2CTSLCTSBCTSSHDAC3
SCHEMBL10604536 0.77 CTSL (0.49) ROCK2CTSLHDAC3HDAC1HDAC2
SCHEMBL397508 0.75 ALDH1A1 (0.55) CNR2HDAC1HDAC6MEN1KMT2A
SCHEMBL25845297 0.75 CNR2 (0.53) CNR2MEN1KMT2AHTTADRB2
SCHEMBL22778382 0.74 CTSK (0.62) CNR2ROCK2CTSLCTSSHDAC1
SCHEMBL5509730 0.74 POLB (0.54) CNR2HDAC3HDAC1HDAC2HDAC6

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 10 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
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 WO 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 (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 CNR2 3116/4885ROCK2 319/4885OPRM1 3508/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CNR2 562/4885ROCK2 399/4885OPRM1 3375/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CNR2 562/4885ROCK2 399/4885OPRM1 3375/4885

“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.