SCHEMBL614112

SCHEMBL614112

CCCC#Cc1c[c]ccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
CYP2D6 P10635 1/20 0.38
CHRNB2 P17787 4/20 0.34
CHRNA4 P43681 4/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34

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
SCHEMBL614587 0.89 KCNH2 (0.39) CYP2D6CHRNB2CHRNA4CYP1A2CYP3A4
SCHEMBL8122540 0.86 KCNH2 (0.47) CYP3A4KCNH2
SCHEMBL8122306 0.86 KCNH2 (0.47) CYP3A4KCNH2
SCHEMBL8114656 0.86 KCNH2 (0.47) CYP3A4KCNH2
SCHEMBL482776 0.85 NPSR1 (0.39) CHRNB2CHRNA4GABRPGABRDGABRA1
SCHEMBL1979835 0.84 HTR2A (0.35) CHRNB2CHRNA4HTR2A
SCHEMBL8728334 0.78 GABRP (0.41) HRH3CYP2D6CHRNB2CHRNA4GABRP
SCHEMBL6293461 0.78 CHRNB2 (0.50) CHRNB2CHRNA4NPSR1CYP1A2CYP3A4
SCHEMBL6296436 0.77 ALDH1A1 (0.38) HRH3GABRPGABRDGABRA1GABRB1
SCHEMBL1978631 0.76 HTR2A (0.44) HAO1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427417-B1 SALTS OF 3-PENTYLPHENYLACETIC ACID AND PHARMACEUTICAL USES THEREOF PROMETIC BIOSCIENCES INC (CA) 2013-10-09 EP claimed
US-20160367639-A1 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL INNOVATIONS LIMITED (GB) 2016-12-22 US disclosed
EP-2329839-B1 Modification of feeding behavior by GLP-1 and PYY IMP INNOVATIONS LTD (GB) 2015-09-16 EP disclosed
US-20150051140-A1 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL INNOVATIONS (GB) 2015-02-19 US disclosed
CN-103347509-A Compounds and compositions for the treatment of cancer PROMETIC BIOSCIENCES INC 2013-10-09 CN disclosed
US-8217001-B2 Modification of feeding behavior IMPERIAL INNOVATIONS LIMITED 2012-07-10 US disclosed
CN-102421742-A Salts of 3-pentylphenylacetic acid and pharmaceutical uses thereof PROMETIC BIOSCIENCES INC 2012-04-18 CN disclosed
US-20120040893-A1 MODIFICATION OF FEEDING BEHAVIOUR COWLEY MICHAEL (AU) 2012-02-16 US disclosed
US-8058233-B2 adminsteration of Peptide YY and glucagons-like peptide-1( GLP-1) or agonists to a overweight subject, or having obesity related disorders, results in decreased food intake, caloric intake, appetite, and an alteration in energy metabolism OREGON HEALTH AND SCIENCE UNIVERSITY (US) 2011-11-15 US disclosed
EP-2329839-A1 Modification of feeding behavior by GLP-1 and PYY Imperial Innovations Limited (GB) 2011-06-08 EP disclosed
EP-1137631-B1 REVERSIBLE AQUEOUS pH SENSITIVE LIPIDIZING REAGENTS, COMPOSITIONS AND METHODS OF USE UNIV SOUTHERN CALIFORNIA (US) 2004-04-28 EP disclosed
WO-2003057235-A2 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2003-07-17 WO disclosed
US-6590071-B1 Increasing the delivery of hydrophilic amine containing compounds to the cell having a mucosal barrier, in which a compound of given formula penetrates the mucosal barrier of the cell; free amine is liberated by hydrolysis UNIVERSITY OF SOUTHERN CALIFORNIA 2003-07-08 US disclosed
WO-2003027637-A2 ASSESSMENT OF NEURONS IN THE ARCUATE NUCLEUS TO SCREEN FOR AGENTS THAT MODIFY FEEDING BEHAVIOR OREGON HEALTH AND SCIENCE UNIVERSITY (US) 2003-04-03 WO disclosed
WO-2003026591-A2 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2003-04-03 WO disclosed
EP-1137631-A1 REVERSIBLE AQUEOUS pH SENSITIVE LIPIDIZING REAGENTS, COMPOSITIONS AND METHODS OF USE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2001-10-04 EP disclosed
WO-2000034236-A1 REVERSIBLE AQUEOUS pH SENSITIVE LIPIDIZING REAGENTS, COMPOSITIONS AND METHODS OF USE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2000-06-15 WO disclosed
EP-0609058-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1998-12-09 EP disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP 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-20150051140-A1 MODIFICATION OF FEEDING BEHAVIOR GLP1R, NPY4R, NPY1R HRH3 906/4885CYP2D6 4769/4885CHRNB2 284/4885
US-20120040893-A1 MODIFICATION OF FEEDING BEHAVIOUR GLP1R, NPY4R, NPY1R HRH3 788/4885CYP2D6 4728/4885CHRNB2 295/4885
US-20160367639-A1 MODIFICATION OF FEEDING BEHAVIOR GLP1R, NPY4R, NPY1R HRH3 906/4885CYP2D6 4769/4885CHRNB2 284/4885

“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.