SCHEMBL95222

SCHEMBL95222

[CH2]CCCCCN(c1ccccc1)C(C)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.36
TAAR1 Q96RJ0 2/20 0.34
NPC1 O15118 1/20 0.34
JAK2 O60674 1/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
KCNH2 Q12809 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL8438009 0.87 NPC1 (0.45) SIGMAR1NPC1JAK2RAB9APAX8
SCHEMBL94752 0.83 TAAR1 (0.44) SIGMAR1TAAR1ALDH1A1DRD1
SCHEMBL27329621 0.82 ADRA2C (0.37) SIGMAR1TAAR1
SCHEMBL25684761 0.79 TAAR1 (0.39) SIGMAR1TAAR1ALDH1A1GLATSHR
SCHEMBL94876 0.79 TSHR (0.38) SIGMAR1TAAR1ALDH1A1GLATSHR
SCHEMBL3956329 0.79 TAAR1 (0.39) SIGMAR1TAAR1ALDH1A1GLATSHR
SCHEMBL17045962 0.78 TAAR1 (0.38) SIGMAR1TAAR1ALDH1A1GLATSHR
SCHEMBL1812827 0.75 ESRRG (0.34) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL8436030 0.75 NPC1 (0.44) SIGMAR1NPC1JAK2RAB9APAX8
SCHEMBL2545305 0.75 TSHR (0.41) SIGMAR1TAAR1ALDH1A1GLATSHR

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 12 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
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 SIGMAR1 2794/4885TAAR1 3793/4885NPC1 2361/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SIGMAR1 2364/4885TAAR1 2154/4885NPC1 2922/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SIGMAR1 2364/4885TAAR1 2154/4885NPC1 2922/4885

“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.