SCHEMBL5848837

SCHEMBL5848837

O=C(O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.71
OPRL1 P41146 3/20 0.71
OPRK1 P41145 2/20 0.71
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
PMP22 Q01453 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
PLD2 O14939 2/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CHRM1 P11229 3/20 0.64
DRD2 P14416 1/20 0.64
KCNH2 Q12809 1/20 0.64
PLD1 Q13393 2/20 0.62
NPY5R Q15761 1/20 0.60
CHRM2 P08172 1/20 0.60
CHRM4 P08173 1/20 0.60
CHRM5 P08912 1/20 0.60
CHRM3 P20309 1/20 0.60

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
SCHEMBL5777516 0.89 PLD2 (0.68) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL6404540 0.85 PLD1 (0.81) OPRM1OPRL1OPRK1KDM4EALDH1A1
Oxalic Acid SCHEMBL5772739 0.85 KDM4E (0.79) OPRM1OPRL1OPRK1KDM4EALDH1A1
Oxalic Acid SCHEMBL5778025 0.84 OPRM1 (0.91) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL11430686 0.83 PLD2 (0.61) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL7738119 0.83 NPY5R (0.62) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL3665096 0.83 OPRM1 (1.00) OPRM1OPRL1OPRK1CHRM1DRD2
SCHEMBL1833332 0.83 HSD11B1 (0.68) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL7963223 0.83 CYP2D6 (0.77) OPRM1OPRL1OPRK1KDM4EALDH1A1
SCHEMBL5984495 0.83 CYP2D6 (0.85) OPRM1OPRL1OPRK1KDM4EALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071195-B2 Amine and amide derivatives as ligands for the neuropeptide Y Y5 receptor useful in the treatment of obesity and other disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-07-04 US disclosed
US-20060052388-A1 Amine and amide derivatives as ligands for the neuropeptide Y Y5 receptor useful in the treatment of obesity and other disorders DAX SCOTT L 2006-03-09 US disclosed
US-6987188-B2 3a,4,5,9b-tetrahydro-1H-benz[e]indol-2-yl amine-derived neuropeptideYreceptors ligands useful in the treatment of obesity and other disorders DAX SCOTT 2006-01-17 US disclosed
EP-1202986-B1 AMINE AND AMIDE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO MCNEIL PHARM INC (US) 2005-10-12 EP disclosed
US-20050054709-A1 3a,4,5,9b-tetrahydro-1H-benz[e]indol-2-yl amine-derived neuropeptideYreceptors ligands useful in the treatment of obesity and other disorders DAX SCOTT (US) 2005-03-10 US disclosed
US-6841552-B1 3a,4,5,9b-tetrahydro-1H-benz[e]indol-2-yl amine-derived neuropeptide Y receptors ligands useful in the treatment of obesity and other disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-01-11 US disclosed
EP-1493742-A1 Amine and amide derivatives as ligands for the neuropeptide Y Y5 receptor useful in the treatment of obesity and other disorders Ortho-Mcneil Pharmaceutical, Inc. (US) 2005-01-05 EP disclosed
US-20020115715-A1 Amine and amide derivatives as ligands for the neuropeptide Y Y5 receptor useful in the treatment of obesity and other disorders DAX SCOTT L (US) 2002-08-22 US disclosed
EP-1202986-A1 AMINE AND AMIDE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-05-08 EP disclosed
US-6380224-B1 FOR THERAPY OF EATING DISORDERS, OBESITY, BULIMIA NERVOSA, DIABETES, MEMORY LOSS, EPILEPTIC SEIZURES, MIGRAINE, SLEEP DISTURBANCES, PAIN, SEXUAL/REPRODUCTIVE DISORDERS, DEPRESSION AND ANXIETY ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-04-30 US disclosed
EP-1177172-A1 3a,4,5,9b-TETRAHYDRO-1H-BENZ e]INDOL-2-YL AMINE-DERIVED NEUROPEPTIDE Y RECEPTORS LIGANDS USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-02-06 EP disclosed
WO-2001009120-A1 AMINE AND AMIDE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y Y5 RECEPTOR USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-02-08 WO disclosed
WO-2000068197-A1 3a,4,5,9b-TETRAHYDRO-1H-BENZ[e]INDOL-2-YL AMINE-DERIVED NEUROPEPTIDE Y RECEPTORS LIGANDS USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-11-16 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 (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-20060052388-A1 Amine and amide derivatives as ligands for the neuropeptide Y Y5 receptor useful in the treatment of obesity and other disorders NPY5R, NPY1R, NPY2R OPRM1 135/4885OPRL1 30/4885OPRK1 150/4885
US-20050054709-A1 3a,4,5,9b-tetrahydro-1H-benz[e]indol-2-yl amine-derived neuropeptideYreceptors ligands useful in the treatment of obesity and other disorders NPY1R, NPY4R, NPY2R OPRM1 140/4885OPRL1 24/4885OPRK1 64/4885
US-20020115715-A1 Amine and amide derivatives as ligands for the neuropeptide Y Y5 receptor useful in the treatment of obesity and other disorders NPY5R, NPY1R, NPY2R OPRM1 134/4885OPRL1 30/4885OPRK1 142/4885

“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.