SCHEMBL4590976

SCHEMBL4590976

O=C1Cc2ccccc2C2(CCN(C(=O)Nc3ccc(C(=O)c4ccccn4)cc3)CC2)N1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.57
HRH3 Q9Y5N1 1/20 0.43
NAMPT P43490 11/20 0.43
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
CALCRL Q16602 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL4175442 0.88 NPY5R (0.61) NPY5RHRH3NAMPTCYP3A4TSHR
SCHEMBL4167043 0.84 NPY5R (0.59) NPY5RHRH3NAMPTKDM4EALDH1A1
SCHEMBL4167575 0.77 NPY5R (0.80) NPY5RHRH3NAMPTCALCRL
SCHEMBL4178391 0.77 NPY5R (0.58) NPY5RHRH3CYP3A4TSHRALDH1A1
SCHEMBL6047733 0.74 NPY5R (0.54) NPY5RHRH3ALDH1A1CALCRLCYP1A2
SCHEMBL4165197 0.73 NPY5R (1.00) NPY5RHRH3CALCRL
SCHEMBL4590999 0.72 NPY5R (0.60) NPY5RHRH3NAMPTCYP3A4TSHR
SCHEMBL4156991 0.72 NPY5R (0.68) NPY5RHRH3CALCRL
SCHEMBL22058383 0.71 CRBN (0.62) NPY5RHRH3CYP3A4ALDH1A1
SCHEMBL4172126 0.71 NPY5R (0.73) NPY5RHRH3NAMPTCALCRL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148721-A1 Combination therapy for the treatment of dyslipidemia MERCK SHARP & DOHME CORP. 2006-07-06 US 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-2004110368-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION MERCK & CO., INC. (US) 2004-12-23 WO 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-6326375-B1 CONTAINING AN UREA GROUP BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-12-04 US claimed
EP-1534074-A4 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO INC (US) 2008-01-09 EP disclosed
US-20070099884-A1 Combination therapy for the treatment of diabetes MERCK & CO., INC. 2007-05-03 US disclosed
US-20060160834-A1 Combination therapy for the treatment of hypertension MERCK & CO., INC. 2006-07-20 US disclosed
EP-1635773-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION Merck & Co., Inc. (a New Jersey corp.) (US) 2006-03-22 EP disclosed
EP-1534074-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY Merck & Co., Inc. (US) 2005-06-01 EP disclosed
WO-2004110368-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION MERCK & CO., INC. (US) 2004-12-23 WO disclosed
US-20020165391-A1 Neuropeptide Y receptor antagonists MSD K.K. (JP) 2002-11-07 US disclosed
US-6462053-B1 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; CARDIOVASCULAR AND CENTRAL NERVOUS SYSTEM DISORDERS AND METABOLIC DISEASES; HYPERTENSION, NEPHROPATHY, HEART DISEASE, VASOSPASM, ARTERIOSCLEROSIS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-10-08 US 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 48/4885HRH3 360/4885NAMPT 3109/4885
US-20060148721-A1 Combination therapy for the treatment of dyslipidemia LIPC, LIPA, LPL NPY5R 814/4885HRH3 3479/4885NAMPT 451/4885
US-20030055251-A1 Novel spiro compounds NPY1R, GPR119, OPRK1 NPY5R 34/4885HRH3 457/4885NAMPT 3095/4885
US-20070099884-A1 Combination therapy for the treatment of diabetes GPR119, FABP4, IAPP NPY5R 274/4885HRH3 2924/4885NAMPT 376/4885
US-20020165391-A1 Neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY4R NPY5R 4/4885HRH3 170/4885NAMPT 3946/4885
US-20060160834-A1 Combination therapy for the treatment of hypertension FABP4, GPR119, HMGCR NPY5R 169/4885HRH3 816/4885NAMPT 725/4885

“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.