SCHEMBL1009480

SCHEMBL1009480

O=C(Nc1cnc(-c2ccccc2)cn1)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
CDK5 Q00535 1/20 0.45
WNT3A P56704 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
NPY5R Q15761 4/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43
RAD51 Q06609 1/20 0.43
PORCN Q9H237 2/20 0.42
F2 P00734 1/20 0.42
F12 P00748 1/20 0.42
TPH1 P17752 1/20 0.42

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
SCHEMBL6819763 0.92 MAPT (0.45) CCNE1CDK2CDK5WNT3AALDH1A1
SCHEMBL6816899 0.88 HSD17B1 (0.54) WNT3AALDH1A1MEN1KMT2AGAA
SCHEMBL27763701 0.86 CYP1A2 (0.46) CCNE1CDK2CDK5WNT3AALDH1A1
SCHEMBL2595570 0.82 CCNE1 (0.47) CCNE1CDK2CDK5ALDH1A1MAPT
SCHEMBL27481128 0.81 WNT3A (0.53) WNT3ANPY5RTPH1
SCHEMBL32672056 0.81 NOTUM (0.52) CCNE1CDK2CDK5ALDH1A1MAPT
SCHEMBL305046 0.81 NOTUM (0.52) CCNE1CDK2CDK5ALDH1A1MAPT
SCHEMBL29739273 0.81 MEN1 (0.51) CCNE1CDK2CDK5WNT3AMEN1
SCHEMBL29739269 0.79 PTPN2 (0.57) WNT3AALDH1A1MAPTMEN1KMT2A
SCHEMBL6214816 0.79 CCNE1 (0.41) CCNE1CDK2CDK5ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044052-B2 Inhibitors of fatty acid amide hydrolase; N-pyridin-3-yl-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide; elevate brain anandamide levels; pain, urinary incontinence, cognitive disorders, anxiety, depression, sleeping, eating, movement disorders, glaucoma, psoriasis PFIZER INC. (US) 2011-10-25 US disclosed
EP-2076508-B1 BIARYL ETHER UREA COMPOUNDS PFIZER PROD INC (US) 2011-01-05 EP disclosed
EP-2076508-A2 BIARYL ETHER UREA COMPOUNDS Pfizer Products Inc. (US) 2009-07-08 EP disclosed
US-20080261941-A1 Biaryl Ether Urea Compounds Jazz Pharmaceuticals Therapeutics, Inc. 2008-10-23 US disclosed
WO-2008047229-A2 BIARYL ETHER UREA COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-04-24 WO disclosed
EP-1129089-B1 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-12-28 EP 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-20040063942-A1 Spiro-indolines as Y5 receptor antagonists MERCK & CO., INC. 2004-04-01 US disclosed
US-20030220499-A1 Novel spiro compounds MSD K.K. (JP) 2003-11-27 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
US-6313298-B1 OBESITY, DIETETICS; NEUROPEPTIDE Y ANTAGONISTS MERCK & CO., INC. 2001-11-06 US disclosed
EP-1129089-A1 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2001-09-05 EP disclosed
WO-2001014376-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-03-01 WO disclosed
US-6191160-B1 DIETETICS MERCK & CO., INC. 2001-02-20 US disclosed
WO-2000027845-A1 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 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 (4 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 CCNE1 2541/4885CDK2 2482/4885CDK5 2877/4885
US-20030220499-A1 Novel spiro compounds NPY1R, OPRK1, OPRM1 CCNE1 2631/4885CDK2 2406/4885CDK5 2564/4885
US-20040063942-A1 Spiro-indolines as Y5 receptor antagonists NPY5R, NPY1R, NPY2R CCNE1 3267/4885CDK2 2940/4885CDK5 1334/4885
US-20080261941-A1 Biaryl Ether Urea Compounds FAAH, FAAH2, LIPC CCNE1 3489/4885CDK2 1362/4885CDK5 1145/4885

“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.