SCHEMBL95778

SCHEMBL95778

O=[C]CCC=CCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
SIGMAR1 Q99720 11/20 0.41
IDO1 P14902 3/20 0.41
IGF1R P08069 1/20 0.40
ALOX15 P16050 1/20 0.40
PDPK1 O15530 1/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
PYGL P06737 1/20 0.38
CYP2D6 P10635 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
DAO P14920 1/20 0.36

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
SCHEMBL95777 1.00 PNMT (0.46) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL2094550 0.82 KCNH2 (0.45) TAAR1IDO1IGF1RALOX15PDPK1
SCHEMBL2094547 0.82 KCNH2 (0.45) TAAR1IDO1IGF1RALOX15PDPK1
SCHEMBL5542604 0.82 PNMT (0.55) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL95779 0.79 PNMT (0.48) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL5544401 0.79 IGF1R (0.53) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL5545863 0.77 IGF1R (0.56) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL11637635 0.77 PNMT (0.50) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL11637638 0.77 PNMT (0.50) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL5539473 0.76 IGF1R (0.54) PNMTTAAR1SIGMAR1IDO1IGF1R

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 PNMT 4659/4885TAAR1 3793/4885SIGMAR1 2794/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 PNMT 4840/4885TAAR1 2154/4885SIGMAR1 2364/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 PNMT 4840/4885TAAR1 2154/4885SIGMAR1 2364/4885

“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.