SCHEMBL2280475

SCHEMBL2280475

C1CCC(NC2CCNCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
HSD17B10 Q99714 1/20 0.67
EPHX1 P07099 2/20 0.58
RAD52 P43351 1/20 0.41
ADH1B P00325 2/20 0.40
ADH1C P00326 2/20 0.40
ADH1A P07327 2/20 0.40
ADH4 P08319 1/20 0.40
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
KDM1A O60341 4/20 0.38
CISD1 Q9NZ45 1/20 0.38
SLC6A2 P23975 1/20 0.38
MAOB P27338 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
POLB P06746 1/20 0.38
CHRM5 P08912 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
SCHEMBL13014506 1.00 ALDH1A1 (0.67) ALDH1A1HSD17B10EPHX1RAD52ADH1B
SCHEMBL23547305 1.00 ALDH1A1 (0.67) ALDH1A1HSD17B10EPHX1RAD52ADH1B
SCHEMBL23547389 1.00 ALDH1A1 (0.67) ALDH1A1HSD17B10EPHX1RAD52ADH1B
SCHEMBL3818790 0.97 ALDH1A1 (0.61) ALDH1A1HSD17B10EPHX1RAD52ADH1B
Hydrochloric Acid SCHEMBL542931 0.94 ALDH1A1 (0.58) ALDH1A1HSD17B10EPHX1RAD52ADH1B
Piperazine SCHEMBL27859712 0.92 ALDH1A1 (0.71) ALDH1A1HSD17B10EPHX1RAD52ADH1B
SCHEMBL13902993 0.92 ALDH1A1 (0.53) ALDH1A1HSD17B10EPHX1ADH1BADH1C
SCHEMBL3237330 0.88 EPHX1 (0.50) ALDH1A1HSD17B10EPHX1GNAI3GNAO1
SCHEMBL3813652 0.87 ALDH1A1 (0.57) ALDH1A1HSD17B10EPHX1RAD52ADH1B
SCHEMBL5827271 0.87 ALDH1A1 (0.57) ALDH1A1HSD17B10EPHX1RAD52ADH1B

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9987265-B2 Methods for treating post traumatic stress disorder AZEVAN PHARMACEUTICALS, INC. (US) 2018-06-05 US disclosed
US-9987265-B2 Methods for treating post traumatic stress disorder AZEVAN PHARMACEUTICALS, INC. (US) 2018-06-05 US disclosed
EP-3019493-B1 MODIFIED BET-PROTEIN INHIBITING DIHYDROCHINOXALINONES AND DIHYDROPYRIDOPYRAZINONES Bayer Pharma AG (DE) 2017-06-14 EP disclosed
US-20160339006-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-24 US disclosed
US-20160339006-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-24 US disclosed
WO-2015004075-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-15 WO disclosed
US-7989634-B2 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2011-08-02 US disclosed
US-7772225-B2 N-sulfamoyl-piperidineamides for the treatment or inhibition of obesity and related conditions SOLVAY PHARMACEUTICALS GMBH (DE) 2010-08-10 US disclosed
US-7772225-B2 N-sulfamoyl-piperidineamides for the treatment or inhibition of obesity and related conditions SOLVAY PHARMACEUTICALS GMBH (DE) 2010-08-10 US disclosed
US-7772225-B2 N-sulfamoyl-piperidineamides for the treatment or inhibition of obesity and related conditions SOLVAY PHARMACEUTICALS GMBH (DE) 2010-08-10 US disclosed
US-20070149512-A1 N-Sulfamoyl-piperidineamides for the treatment or inhibition of obesity and related conditions SOLVAY PHARMACEUTICALS GMBH 2007-06-28 US disclosed
US-20070149512-A1 N-Sulfamoyl-piperidineamides for the treatment or inhibition of obesity and related conditions SOLVAY PHARMACEUTICALS GMBH 2007-06-28 US disclosed
US-20070149512-A1 N-Sulfamoyl-piperidineamides for the treatment or inhibition of obesity and related conditions SOLVAY PHARMACEUTICALS GMBH 2007-06-28 US disclosed
WO-2007065948-A1 NOVEL N-SULFAMOYL-PIPERIDINEAMIDES FOR THE PROPHYLAXIS OR TREATMENT OF OBESITY AND RELATED CONDITIONS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-06-14 WO disclosed
WO-2007065948-A1 NOVEL N-SULFAMOYL-PIPERIDINEAMIDES FOR THE PROPHYLAXIS OR TREATMENT OF OBESITY AND RELATED CONDITIONS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-06-14 WO disclosed
EP-1685102-A1 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd. (KR) 2006-08-02 EP disclosed
WO-2005047251-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 WO disclosed
CN-1481358-A Amide derivatives and their use in the treatment of thromboembolic disorders and tumours Ĭ��ר���ɷ����޹�˾ 2004-03-10 CN disclosed
EP-1012147-A2 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP disclosed
WO-1999006387-A2 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1999-02-11 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 (2 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-20070149512-A1 N-Sulfamoyl-piperidineamides for the treatment or inhibition of obesity and related conditions FABP4, GPR119, SRM ALDH1A1 200/4885HSD17B10 743/4885EPHX1 1549/4885
US-20160339006-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER GPX4, CRH, TXN ALDH1A1 1136/4885HSD17B10 541/4885EPHX1 1073/4885

“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.