SCHEMBL1594645

SCHEMBL1594645

COc1ccccc1C(=O)CN[C@@H]1CCc2ccccc2[C@@H]1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.50
NPY5R Q15761 2/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK14 Q16539 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
OPRM1 P35372 1/20 0.43
TRPV1 Q8NER1 3/20 0.42
HCRTR1 O43613 1/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR1A P08908 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4297282 0.85 MEN1 (0.58) PIN1NPY5RMEN1KMT2AALDH1A1
Bromide SCHEMBL1593622 0.84 MEN1 (0.57) PIN1NPY5RMEN1KMT2AALDH1A1
SCHEMBL1594786 0.80 NPY5R (0.53) NPY5RMEN1KMT2AKDM4EHTR1A
SCHEMBL1594787 0.80 NPY5R (0.53) NPY5RMEN1KMT2AKDM4EHTR1A
SCHEMBL1594785 0.80 NPY5R (0.53) NPY5RMEN1KMT2AKDM4EHTR1A
Bromide SCHEMBL1593617 0.79 NPY5R (0.52) NPY5RMEN1KMT2AKDM4EHTR1A
Bromide SCHEMBL1593620 0.79 NPY5R (0.52) NPY5RMEN1KMT2AKDM4EHTR1A
Bromide SCHEMBL1593618 0.79 NPY5R (0.52) NPY5RMEN1KMT2AKDM4EHTR1A
Oxalic Acid SCHEMBL1593705 0.77 KMT2A (0.51) PIN1NPY5RKMT2AKDM4E
Oxalic Acid SCHEMBL1593708 0.77 KMT2A (0.51) PIN1NPY5RKMT2AKDM4E

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
EP-1119543-B1 N-ARALKYLAMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR ORTHO MCNEIL PHARM INC (US) 2004-12-15 EP claimed
US-6201025-B1 FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-03-13 US claimed
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
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
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
US-20050176630-A1 adminsteration of Peptide YY or an agonist to a overweight subject, or having obesity related disorders, results in decreased food intake, caloric intake, appetite, and an alteration in energy metabolism NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-11 US 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
EP-1119543-B1 N-ARALKYLAMINOTETRALINS AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR ORTHO MCNEIL PHARM INC (US) 2004-12-15 EP 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
US-6201025-B1 FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-03-13 US 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 (1 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-20050176630-A1 adminsteration of Peptide YY or an agonist to a overweight subject, or having obesity related disorders, results in decreased food intake, caloric intake, appetite, and an alteration in energy metabolism NPY4R, NPY2R, NPY1R PIN1 3693/4885NPY5R 4/4885MEN1 1736/4885

“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.