SCHEMBL96405

SCHEMBL96405

CC(COCCCO)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TAAR1 Q96RJ0 4/20 0.40
SLC6A2 P23975 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
MAOA P21397 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.39
CCR3 P51677 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL96404 0.83 NPC1 (0.41) TRPA1NPC1RAB9ATAAR1SLC6A2
SCHEMBL8478877 0.79 TAAR1 (0.47) TRPA1NPC1RAB9ATAAR1SLC6A2
SCHEMBL95896 0.78 TAAR1 (0.41) NPC1RAB9ATAAR1SLC6A2SIGMAR1
SCHEMBL95895 0.78 NPC1 (0.37) NPC1RAB9ATAAR1SLC6A2SIGMAR1
SCHEMBL7937685 0.78 TRPA1 (0.53) TRPA1NPC1RAB9ATAAR1SLC6A2
SCHEMBL27130612 0.78 MAPT (0.40) TSHRCYP2C9CYP2C19CYP2D6
SCHEMBL27031989 0.78 MAPT (0.40) TSHRCYP2C9CYP2C19CYP2D6
SCHEMBL12846893 0.77 SIGMAR1 (0.47) TRPA1NPC1RAB9ATAAR1SLC6A2
SCHEMBL1911103 0.77 SIGMAR1 (0.47) TRPA1NPC1RAB9ATAAR1SLC6A2
SCHEMBL12519871 0.77 TSHR (0.54) TAAR1SLC6A2SIGMAR1MAOASLC6A4

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 9 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
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 TRPA1 3607/4885NPC1 2361/4885RAB9A 3886/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 TRPA1 1926/4885NPC1 2922/4885RAB9A 2273/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TRPA1 1926/4885NPC1 2922/4885RAB9A 2273/4885

“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.