SCHEMBL6816899

SCHEMBL6816899

O=C(Nc1cnc(-c2cccc(O)c2)cn1)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.54
HSD17B2 P37059 2/20 0.54
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PRKDC P78527 1/20 0.46
ATR Q13535 1/20 0.46
GAA P10253 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
CYP1A2 P05177 1/20 0.40
ABL1 P00519 1/20 0.40
PORCN Q9H237 2/20 0.40
MAPK1 P28482 1/20 0.40
PIK3CA P42336 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
WNT3A P56704 1/20 0.40
F2 P00734 1/20 0.40
F12 P00748 1/20 0.40

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
SCHEMBL1009480 0.88 CCNE1 (0.45) MEN1KMT2AALDH1A1GAAPORCN
SCHEMBL6819763 0.86 MAPT (0.45) MEN1KMT2AALDH1A1PRKDCATR
SCHEMBL27497340 0.83 HSD17B1 (0.65) HSD17B1HSD17B2PRKDCATRABL1
SCHEMBL27763701 0.78 CYP1A2 (0.46) MEN1KMT2AALDH1A1GAACYP1A2
SCHEMBL2595570 0.74 CCNE1 (0.47) MEN1KMT2AALDH1A1GAACYP1A2
SCHEMBL9128923 0.74 PORCN (0.60) MEN1KMT2AALDH1A1GAATRPV1
SCHEMBL305046 0.73 NOTUM (0.52) MEN1KMT2AALDH1A1GAACYP1A2
SCHEMBL32672056 0.73 NOTUM (0.52) MEN1KMT2AALDH1A1GAACYP1A2
SCHEMBL29739273 0.73 MEN1 (0.51) MEN1KMT2APORCNWNT3A
SCHEMBL1180306 0.73 HSD17B1 (1.00) HSD17B1HSD17B2ALDH1A1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1373/4885MEN1 720/4885
US-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 HSD17B1 264/4885HSD17B2 296/4885MEN1 467/4885
US-20030055251-A1 Novel spiro compounds NPY1R, GPR119, OPRK1 HSD17B1 263/4885HSD17B2 320/4885MEN1 367/4885
US-20030220499-A1 Novel spiro compounds NPY1R, OPRK1, OPRM1 HSD17B1 227/4885HSD17B2 252/4885MEN1 488/4885
US-20020165391-A1 Neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY4R HSD17B1 925/4885HSD17B2 927/4885MEN1 609/4885

“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.