SCHEMBL97095

SCHEMBL97095

O=CCCCCC1CCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.50
CYP1A2 P05177 1/20 0.48
ADH1B P00325 1/20 0.45
ADH1C P00326 1/20 0.45
ADH1A P07327 1/20 0.45
ADH4 P08319 1/20 0.45
ADH7 P40394 1/20 0.45
EPHX1 P07099 1/20 0.40
HIF1A Q16665 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
KDM5A P29375 2/20 0.38
PHF8 Q9UPP1 2/20 0.38
KDM2A Q9Y2K7 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM4A O75164 1/20 0.38
CEL P19835 1/20 0.37
TSHR P16473 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
SCHEMBL3021795 1.00 SIGMAR1 (0.50) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL7350454 1.00 SIGMAR1 (0.50) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL28589060 0.98 SIGMAR1 (0.48) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL7348016 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL14607493 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL10684366 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL8814716 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL2178636 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL98104 0.98 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL9669480 0.98 SIGMAR1 (0.46) SIGMAR1CYP1A2ADH1BADH1CADH1A

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 23 patents — showing the first 20. 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
EP-1301480-B1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LAB (US) 2007-09-12 EP disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1474132-A1 HISTAMINE-3 RECEPTOR LIGANDS FOR DIABETIC CONDITIONS Abbott Laboratories (US) 2004-11-10 EP disclosed
US-6620839-B2 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2003-09-16 US disclosed
US-20030153548-A1 Histamine-3 receptor ligands for diabetic conditions ABBOTT LABORATORIES 2003-08-14 US disclosed
WO-2003059342-A1 HISTAMINE-3 RECEPTOR LIGANDS FOR DIABETIC CONDITIONS ABBOTT LABORATORIES (US) 2003-07-24 WO disclosed
US-20030134835-A1 Histamine-3 receptor ligands for diabetes conditions ABBOTT LABORATORIES 2003-07-17 US disclosed
EP-1301480-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-04-16 EP disclosed
US-6515013-B2 For diseases or conditions caused by or exacerbated by histamine-3 receptor activity ABBOTT LABORATORIES 2003-02-04 US disclosed
US-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-09-26 US disclosed
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-03-21 US disclosed
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 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 (7 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-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 SIGMAR1 227/4885CYP1A2 1588/4885ADH1B 2886/4885
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 SIGMAR1 227/4885CYP1A2 1588/4885ADH1B 2886/4885
US-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB SIGMAR1 2794/4885CYP1A2 3062/4885ADH1B 2073/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SIGMAR1 2364/4885CYP1A2 1412/4885ADH1B 1139/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SIGMAR1 2364/4885CYP1A2 1412/4885ADH1B 1139/4885
US-20030153548-A1 Histamine-3 receptor ligands for diabetic conditions HRH4, HRH2, HRH3 SIGMAR1 521/4885CYP1A2 1882/4885ADH1B 3415/4885
US-20030134835-A1 Histamine-3 receptor ligands for diabetes conditions HRH4, HRH2, HRH3 SIGMAR1 644/4885CYP1A2 1680/4885ADH1B 3208/4885

“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.