SCHEMBL5848033

SCHEMBL5848033

CCCCCN1CCN(CC(=O)O)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.51
GNAI3 P08754 3/20 0.50
GNAO1 P09471 3/20 0.50
GNAI1 P63096 3/20 0.50
KCNH2 Q12809 1/20 0.45
HSD17B10 Q99714 1/20 0.44
S1PR3 Q99500 1/20 0.44
S1PR5 Q9H228 1/20 0.44
DRD3 P35462 1/20 0.43
PAOX Q6QHF9 1/20 0.43
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRM3 P20309 1/20 0.42

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
SCHEMBL9661728 0.98 S1PR1 (0.54) S1PR1GNAI3GNAO1GNAI1KCNH2
SCHEMBL5543885 0.98 S1PR1 (0.54) S1PR1GNAI3GNAO1GNAI1KCNH2
SCHEMBL5548993 0.98 S1PR1 (0.54) S1PR1GNAI3GNAO1GNAI1KCNH2
SCHEMBL14330061 0.98 S1PR1 (0.54) S1PR1GNAI3GNAO1GNAI1KCNH2
SCHEMBL23105622 0.94 S1PR1 (0.49) S1PR1GNAI3GNAO1GNAI1KCNH2
SCHEMBL10060138 0.85 HSD17B10 (0.48) S1PR1HSD17B10CYP1A2MAPK1SMN1; SMN2
SCHEMBL15499754 0.85 HSD17B10 (0.48) S1PR1HSD17B10CYP1A2MAPK1SMN1; SMN2
SCHEMBL15499048 0.85 HSD17B10 (0.48) S1PR1HSD17B10CYP1A2MAPK1SMN1; SMN2
SCHEMBL9644791 0.85 HSD17B10 (0.52) S1PR1HSD17B10PAOXCYP1A2MAPK1
SCHEMBL10826413 0.82 GNAI3 (0.53) S1PR1GNAI3GNAO1GNAI1KCNH2

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 S1PR1 800/4885GNAI3 1586/4885GNAO1 628/4885
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 S1PR1 585/4885GNAI3 1036/4885GNAO1 1046/4885
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 S1PR1 747/4885GNAI3 1565/4885GNAO1 590/4885

“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.