SCHEMBL1593854

SCHEMBL1593854

NC(=S)NCC1CCC(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
ALDH1A1 P00352 2/20 0.62
GAA P10253 1/20 0.62
EPHX1 P07099 1/20 0.53
DPP4 P27487 7/20 0.52
DPP7 Q9UHL4 7/20 0.52
KCNH2 Q12809 4/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
CPB1 P15086 1/20 0.46

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
SCHEMBL5392371 1.00 TSHR (0.66) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL23871857 0.88 ALDH1A1 (0.67) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL1594519 0.83 ALDH1A1 (0.56) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL3948456 0.83 ALDH1A1 (0.85) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL3948461 0.83 ALDH1A1 (0.85) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL381922 0.83 ALDH1A1 (0.85) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL720457 0.83 TSHR (0.81) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL3816681 0.82 TSHR (0.71) TSHRALDH1A1GAAEPHX1DPP4
SCHEMBL529330 0.82 TSHR (0.71) TSHRALDH1A1GAAEPHX1DPP4
Hydrochloric Acid SCHEMBL28135182 0.82 ALDH1A1 (0.83) TSHRALDH1A1GAAEPHX1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217001-B2 Modification of feeding behavior IMPERIAL INNOVATIONS LIMITED 2012-07-10 US disclosed
US-7919329-B2 Using proopiomelanocortin neuronal regulatory sequences to identify agents that affects caloric intake, energy expenditure, appetite or food intake; treating eating disorders and/or cachexia OREGON HEALTH & SCIENCE UNIVERSITY (US) 2011-04-05 US disclosed
US-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2009-08-20 US disclosed
EP-2050460-A1 PYY and agonists thereof for modification of feeding behaviour Imperial Innovations Limited (GB) 2009-04-22 EP disclosed
US-7459432-B2 Modification of feeding behavior IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2008-12-02 US disclosed
US-20080213803-A1 ASSESSMENT OF NEURONS IN THE ARCUATE NUCLEUS TO SCREEN FOR AGENTS THAT MODIFY FEEDING BEHAVIOR OREGON HEALTH & SCIENCE UNIVERSITY 2008-09-04 US disclosed
US-7273880-B2 Selective NPY (Y5) antagonists H. LUNBECK A/S (DK) 2007-09-25 US disclosed
EP-1585956-A2 ASSESSMENT OF NEURONS IN THE ARCUATE NUCLEUS TO SCREEN FOR AGENTS THAT MODIFY FEEDING BEHAVIOR Oregon Health and Science University (US) 2005-10-19 EP disclosed
EP-1194421-B1 SELECTIVE NPY (Y5) ANTAGONISTS LUNDBECK & CO AS H (DK) 2005-10-12 EP disclosed
EP-1499277-A4 MODIFICATION OF FEEDING BEHAVIOR IMP COLLEGE INNOVATIONS LTD (GB) 2005-08-31 EP disclosed
US-20050137240-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2005-06-23 US disclosed
EP-1499277-A2 MODIFICATION OF FEEDING BEHAVIOR Imperial College Innovations Limited (GB) 2005-01-26 EP disclosed
US-20050015820-A1 Assessment of neurons in the arcuate nucleus to screen for agents that modify feeding behavior NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-01-20 US disclosed
WO-2003026591-A9 MODIFICATION OF FEEDING BEHAVIOR IMP COLLEGE INNOVATIONS LTD (GB) 2004-07-08 WO 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-1194421-A4 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2002-09-11 EP disclosed
EP-1194421-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-04-10 EP disclosed
US-6225330-B1 Selective NPY (Y5) antagonists (tricyclics) SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-01 US disclosed
WO-2001002379-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2001-01-11 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-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR NPY4R, NPY5R, NPY2R TSHR 120/4885ALDH1A1 4693/4885GAA 2226/4885
US-20050137240-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R TSHR 155/4885ALDH1A1 4658/4885GAA 1645/4885

“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.