SCHEMBL4168974

SCHEMBL4168974

O=C(c1ccccc1)c1ccc(NC(=O)C2CCC3(CC2)OC(=O)c2cccnc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 19/20 0.67
GAA P10253 1/20 0.44

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
SCHEMBL4168977 1.00 NPY5R (0.67) NPY5RGAA
SCHEMBL2660458 0.84 NPY5R (0.61) NPY5RGAA
SCHEMBL2660456 0.84 NPY5R (0.61) NPY5RGAA
SCHEMBL4171860 0.84 NPY5R (0.67) NPY5R
SCHEMBL4171853 0.84 NPY5R (0.67) NPY5R
SCHEMBL2660277 0.83 NPY5R (0.73) NPY5R
SCHEMBL2660275 0.83 NPY5R (0.73) NPY5R
SCHEMBL4718176 0.83 NPY5R (0.48) NPY5R
SCHEMBL4718174 0.83 NPY5R (0.48) NPY5R
SCHEMBL2659156 0.82 NPY5R (0.64) NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635813-A4 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO INC (US) 2009-07-01 EP claimed
US-20060148721-A1 Combination therapy for the treatment of dyslipidemia MERCK SHARP & DOHME CORP. 2006-07-06 US claimed
EP-1635813-A2 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA Merck & Co. Inc. (US) 2006-03-22 EP claimed
EP-1635773-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION Merck & Co., Inc. (a New Jersey corp.) (US) 2006-03-22 EP claimed
WO-2005000217-A2 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO., INC. (US) 2005-01-06 WO claimed
WO-2004110368-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION MERCK & CO., INC. (US) 2004-12-23 WO claimed
US-20030220499-A1 Novel spiro compounds MSD K.K. (JP) 2003-11-27 US claimed
EP-1204663-B1 NOVEL SPIRO COMPOUNDS WITH NEUROPEPTIDE Y ANTAGONISTIC ACTIVITY BANYU PHARMA CO LTD (JP) 2003-10-29 EP claimed
US-20030055251-A1 Novel spiro compounds MSD K.K. (JP) 2003-03-20 US claimed
US-20020165391-A1 Neuropeptide Y receptor antagonists MSD K.K. (JP) 2002-11-07 US claimed
US-20020052371-A1 NOVEL SPIRO COMPOUNDS MSD K.K. (JP) 2002-05-02 US claimed
US-6335345-B1 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; OBESITY AND BULIMIA TREATMENT; CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, METABOLIC AND EATING DISORDERS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-01-01 US claimed
EP-1635813-A4 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO INC (US) 2009-07-01 EP disclosed
US-20060160834-A1 Combination therapy for the treatment of hypertension MERCK & CO., INC. 2006-07-20 US disclosed
EP-1635813-A2 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA Merck & Co. Inc. (US) 2006-03-22 EP disclosed
EP-1635773-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION Merck & Co., Inc. (a New Jersey corp.) (US) 2006-03-22 EP disclosed
US-6388077-B1 CARDIOVASCULAR DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
US-20020052371-A1 NOVEL SPIRO COMPOUNDS MSD K.K. (JP) 2002-05-02 US disclosed
US-6335345-B1 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; OBESITY AND BULIMIA TREATMENT; CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, METABOLIC AND EATING DISORDERS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-01-01 US disclosed
US-6326375-B1 CONTAINING AN UREA GROUP BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-12-04 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 (6 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-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 NPY5R 48/4885GAA 1243/4885
US-20060148721-A1 Combination therapy for the treatment of dyslipidemia LIPC, LIPA, LPL NPY5R 814/4885GAA 161/4885
US-20030055251-A1 Novel spiro compounds NPY1R, GPR119, OPRK1 NPY5R 34/4885GAA 1366/4885
US-20030220499-A1 Novel spiro compounds NPY1R, OPRK1, OPRM1 NPY5R 43/4885GAA 1574/4885
US-20020165391-A1 Neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY4R NPY5R 4/4885GAA 2070/4885
US-20060160834-A1 Combination therapy for the treatment of hypertension FABP4, GPR119, HMGCR NPY5R 169/4885GAA 529/4885

“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.