SCHEMBL5126972

SCHEMBL5126972

NCC1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 0.64
NPY1R P25929 4/20 0.64
ALDH1A1 P00352 2/20 0.64
AQP1 P29972 2/20 0.64
ADRA2A P08913 1/20 0.64
MAPT P10636 1/20 0.64
HPGD P15428 1/20 0.64
NPY2R P49146 1/20 0.64
NPY4R P50391 1/20 0.64
MCHR1 Q99705 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
SCN1A P35498 2/20 0.54
SCN2A Q99250 2/20 0.54
SCN3A Q9NY46 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL5774740 1.00 NPY5R (0.64) NPY5RNPY1RALDH1A1AQP1ADRA2A
SCHEMBL14606719 1.00 NPY5R (0.64) NPY5RNPY1RALDH1A1AQP1ADRA2A
SCHEMBL8898328 0.90 NPY5R (0.62) NPY5RNPY1RALDH1A1AQP1ADRA2A
SCHEMBL8898918 0.85 NPY5R (0.62) NPY5RNPY1RALDH1A1AQP1ADRA2A
SCHEMBL13796481 0.85 NPY5R (0.62) NPY5RNPY1RALDH1A1AQP1ADRA2A
SCHEMBL13543086 0.84 NPY5R (0.61) NPY5RNPY1RALDH1A1AQP1ADRA2A
SCHEMBL8888802 0.83 NPY5R (0.64) NPY5RNPY1RALDH1A1AQP1ADRA2A
SCHEMBL4007555 0.83 NPY5R (0.67) NPY5RNPY1RALDH1A1AQP1ADRA2A
SCHEMBL4390192 0.83 NPY5R (0.67) NPY5RNPY1RALDH1A1AQP1ADRA2A
SCHEMBL8890600 0.83 NPY5R (0.60) NPY5RNPY1RALDH1A1AQP1ADRA2A

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-20080045524-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2008-02-21 US disclosed
EP-1816127-A1 TRIAZINE DERIVATIVES FOR USE AS SELECTIVE NPY (Y5) ANTAGONISTS H. Lundbeck A/S (DK) 2007-08-08 EP disclosed
US-7189720-B2 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2007-03-13 US disclosed
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6989379-B1 Selective NPY (Y5) antagonists H. LUNDBICK A/S (DK) 2006-01-24 US disclosed
US-20050176709-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2005-08-11 US disclosed
US-20040019050-A1 Selective NPY (Y5) antagonists (triazines) SYNAPTIC PHARMACEUTICAL CORPORATION 2004-01-29 US disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6569856-B2 Treatment of feeding disorders, obesity, bulimia nervosa, sexual/reproductive disorders, depression, epileptic seizure, cardiovascular disorders, sleep disturbances SYNAPTIC PHARMACEUTICAL CORPORATION 2003-05-27 US disclosed
US-20020103201-A1 Selective NPY (Y5) antagonists (triazines) SYNAPTIC PHARMACEUTICAL CORPORATION 2002-08-01 US disclosed
US-6340683-B1 NEUROPEPTIDE Y ANTAGONISTS; TREATING EATING DISORDERS, SEXUAL/REPRODUCTIVE DISORDERS, DEPRESSION, EPILEPTIC SEIZURE, HYPERTENSION, CEREBRAL HEMORRHAGE, CONGESTIVE HEART FAILURE, SLEEP DISTURBANCES SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-22 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 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 (4 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-20040019050-A1 Selective NPY (Y5) antagonists (triazines) NPY5R, NPY1R, NPY2R NPY5R 1/4885NPY1R 2/4885ALDH1A1 4535/4885
US-20080045524-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R NPY5R 1/4885NPY1R 2/4885ALDH1A1 4639/4885
US-20020103201-A1 Selective NPY (Y5) antagonists (triazines) NPY5R, NPY1R, NPY2R NPY5R 1/4885NPY1R 2/4885ALDH1A1 4535/4885
US-20050176709-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R NPY5R 1/4885NPY1R 2/4885ALDH1A1 4639/4885

“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.