SCHEMBL6047733

SCHEMBL6047733

O=C1Cc2ccccc2C2(CCN(C(=O)Nc3ccc4c(c3)CCCC4=O)CC2)N1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.54
HRH3 Q9Y5N1 1/20 0.49
BAZ2B Q9UIF8 1/20 0.47
PARP10 Q53GL7 1/20 0.43
CALCRL Q16602 1/20 0.42
MAPK14 Q16539 7/20 0.42
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL4178391 0.82 NPY5R (0.58) NPY5RHRH3ALDH1A1LMNASMN1; SMN2
SCHEMBL4175442 0.79 NPY5R (0.61) NPY5RHRH3CYP1A2CYP2D6
SCHEMBL4167043 0.79 NPY5R (0.59) NPY5RHRH3ALDH1A1LMNASMN1; SMN2
SCHEMBL4590976 0.74 NPY5R (0.57) NPY5RHRH3CALCRLALDH1A1CYP1A2
SCHEMBL4174570 0.71 NPY5R (0.61) NPY5RHRH3CALCRLALDH1A1CYP1A2
SCHEMBL4163528 0.71 NPY5R (0.68) NPY5RHRH3CALCRL
SCHEMBL4165197 0.70 NPY5R (1.00) NPY5RHRH3CALCRL
SCHEMBL22058383 0.70 CRBN (0.62) NPY5RHRH3ALDH1A1SMN1; SMN2
SCHEMBL4156991 0.69 NPY5R (0.68) NPY5RHRH3CALCRL
SCHEMBL4167575 0.69 NPY5R (0.80) NPY5RHRH3CALCRL

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 22 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
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-6326375-B1 CONTAINING AN UREA GROUP BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-12-04 US claimed
US-20060160834-A1 Combination therapy for the treatment of hypertension MERCK & CO., INC. 2006-07-20 US disclosed
US-20050288213-A1 Combination therapy for the treatment of obesity BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-12-29 US disclosed
US-6803372-B2 SUCH AS CIS-N-(4-BENZOYLPHENYL)-4-HYDROXY-3'-OXOSPIRO (CYCLOHEXANE-1,1' (3'H)-ISOBENZOFURAN)-4-CARBOXAMIDE FOR USE AS NEUROPEPTIDE Y RECEPTOR ANTAGONIST FOR TREATMENT BULIMIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-10-12 US disclosed
US-6723847-B2 3-OXO-N-(5-PHENYL-2-PYRIMIDINYL)SPIRO(4-AZAISOBENZOFURAN-1 (3H),1'-CYCLOHEXANE)-4'-CARBOXAMIDE; NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-04-20 US disclosed
US-20030220499-A1 Novel spiro compounds MSD K.K. (JP) 2003-11-27 US disclosed
US-6649624-B2 Useful as neuropeptide Y receptor antagonists and as agents for therapy of cardiovascular disorders, central nervous system disorders, metabolic diseases BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-11-18 US disclosed
US-20020188124-A1 Such as cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro (cyclohexane-1,1' (3'H)-isobenzofuran)-4-carboxamide for use as neuropeptide Y receptor antagonist for treatment bulimia, obesity or diabetes MSD K.K. (JP) 2002-12-12 US 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 (8 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-20020188124-A1 Such as cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro (cyclohexane-1,1' (3'H)-isobenzofuran)-4-carboxamide for use as neuropeptide Y receptor antagonist for treatment bulimia, obesity or diabetes NPY1R, GPR119, NPY2R NPY5R 13/4885HRH3 291/4885BAZ2B 2977/4885
US-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 NPY5R 48/4885HRH3 360/4885BAZ2B 4259/4885
US-20060148721-A1 Combination therapy for the treatment of dyslipidemia LIPC, LIPA, LPL NPY5R 814/4885HRH3 3479/4885BAZ2B 4418/4885
US-20030055251-A1 Novel spiro compounds NPY1R, GPR119, OPRK1 NPY5R 34/4885HRH3 457/4885BAZ2B 4241/4885
US-20050288213-A1 Combination therapy for the treatment of obesity NPY5R, NPY4R, NPY2R NPY5R 1/4885HRH3 915/4885BAZ2B 3796/4885
US-20030220499-A1 Novel spiro compounds NPY1R, OPRK1, OPRM1 NPY5R 43/4885HRH3 545/4885BAZ2B 3988/4885
US-20020165391-A1 Neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY4R NPY5R 4/4885HRH3 170/4885BAZ2B 4198/4885
US-20060160834-A1 Combination therapy for the treatment of hypertension FABP4, GPR119, HMGCR NPY5R 169/4885HRH3 816/4885BAZ2B 4302/4885

“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.