SCHEMBL6820766

SCHEMBL6820766

Nc1cnc(-c2cccc(O)c2)cn1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.79
HSD17B2 P37059 6/20 0.79
PIK3CG P48736 2/20 0.52
PIK3CA P42336 1/20 0.52
PIK3CB P42338 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
FYN P06241 2/20 0.50
KDM1A O60341 1/20 0.50
METAP2 P50579 1/20 0.49
MAP4K4 O95819 2/20 0.47
ATR Q13535 2/20 0.46
PRKDC P78527 1/20 0.46
ADORA1 P30542 1/20 0.45
ALOX5AP P20292 2/20 0.45
FEN1 P39748 2/20 0.45
ABL1 P00519 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
SCHEMBL1180306 0.89 HSD17B1 (1.00) HSD17B1HSD17B2PIK3CGPIK3CAPIK3CB
SCHEMBL6819778 0.87 HSD17B1 (0.59) HSD17B1HSD17B2PIK3CGPIK3CAPIK3CB
SCHEMBL29818187 0.79 MAP4K4 (0.57) HSD17B1HSD17B2MAP4K4ALOX5APFEN1
SCHEMBL30186373 0.79 HSD17B1 (0.79) HSD17B1HSD17B2PIK3CGPIK3CAPIK3CB
SCHEMBL2323103 0.79 MAP4K4 (0.57) HSD17B1HSD17B2MAP4K4ALOX5APFEN1
SCHEMBL16826157 0.79 KDM1A (0.50) HSD17B1HSD17B2KDM1AMETAP2MAP4K4
SCHEMBL5318865 0.79 KDM1A (0.50) HSD17B1HSD17B2KDM1AMAP4K4ATR
SCHEMBL13019060 0.78 HSD17B1 (0.56) HSD17B1HSD17B2PIK3CGPIK3CAPIK3CB
SCHEMBL6700757 0.77 PIK3CG (0.47) HSD17B1HSD17B2PIK3CGFYNKDM1A
SCHEMBL934072 0.77 FEN1 (0.62) ADORA1ALOX5APFEN1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100457757-C Novel spiro compounds BANYU PHARMA CO LTD (JP) 2009-02-04 CN disclosed
CN-1640877-A Novel spiro compounds BANYU PHARMA CO LTD (JP) 2005-07-20 CN disclosed
CN-1202108-C Spiro compounds, processes and intermediates BANYU PHARMA CO LTD (JP) 2005-05-18 CN 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
EP-1204663-B1 NOVEL SPIRO COMPOUNDS WITH NEUROPEPTIDE Y ANTAGONISTIC ACTIVITY BANYU PHARMA CO LTD (JP) 2003-10-29 EP disclosed
US-20030055251-A1 Novel spiro compounds MSD K.K. (JP) 2003-03-20 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
CN-1370168-A Novel spiro compounds BANYU PHARMA CO LTD (JP) 2002-09-18 CN disclosed
EP-1204663-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 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
WO-2001014376-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-03-01 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 (5 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 HSD17B1 1370/4885HSD17B2 1373/4885PIK3CG 4594/4885
US-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 HSD17B1 264/4885HSD17B2 296/4885PIK3CG 4196/4885
US-20030055251-A1 Novel spiro compounds NPY1R, GPR119, OPRK1 HSD17B1 263/4885HSD17B2 320/4885PIK3CG 4256/4885
US-20030220499-A1 Novel spiro compounds NPY1R, OPRK1, OPRM1 HSD17B1 227/4885HSD17B2 252/4885PIK3CG 4311/4885
US-20020165391-A1 Neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY4R HSD17B1 925/4885HSD17B2 927/4885PIK3CG 4531/4885

“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.