SCHEMBL1894497

SCHEMBL1894497

FCOc1cccc(-c2co[c]n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.37
CYP1A2 P05177 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAOA P21397 3/20 0.34
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
CREBBP Q92793 1/20 0.33
CXCR1 P25024 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
LTA4H P09960 1/20 0.32
CHRNB2 P17787 6/20 0.32
CHRNB4 P30926 6/20 0.32
CHRNA3 P32297 6/20 0.32
CHRNA7 P36544 6/20 0.32
CHRNA4 P43681 6/20 0.32

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
SCHEMBL2092189 0.80 DYRK1A (0.47) MAOBCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL9955620 0.74 IDO1 (0.45) MAOBMEN1KMT2AMAPTKDM4E
SCHEMBL9956286 0.71 ENPP3 (0.45) MAPTKDM4EALDH1A1
SCHEMBL9956598 0.71 IDO1 (0.45) MAOBCYP19A1BACE1
SCHEMBL17028965 0.71 IDO1 (0.49) MAOBCYP1A2BRD4GAAKDM4E
SCHEMBL7467666 0.70 LTA4H (0.51) MAOBLTA4HBACE1
SCHEMBL102449 0.69 RAB9A (0.41) MEN1KMT2AALDH1A1
SCHEMBL1891674 0.69 FGFR1 (0.38) MAOBCYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL4737237 0.69 TP53 (0.45) MAOBALDH1A1
SCHEMBL16772214 0.68 MAOB (0.46) MAOBMAOAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765791-B2 Method of treating cancer using a neuropeptide Y 5R (NP Y5R) antagonist UNIVERSITY HEALTH NETWORK (CA) 2014-07-01 US disclosed
US-20110112102-A1 METHOD OF TREATING CANCER USING A NEUROPEPTIDE Y 5R (NP Y5R) ANTAGONIST UNIVERSITY HEALTH NETWORK 2011-05-12 US disclosed
EP-2262499-A1 METHOD OF TREATING CANCER USING A NEUROPEPTIDE Y 5R (NP Y5R) ANTAGONIST University Health Network (CA) 2010-12-22 EP disclosed
WO-2009111868-A1 METHOD OF TREATING CANCER USING A NEUROPEPTIDE Y 5R (NP Y5R) ANTAGONIST UNIVERSITY HEALTH NETWORK (CA) 2009-09-17 WO disclosed
EP-1635813-A4 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO INC (US) 2009-07-01 EP disclosed
US-20080064632-A1 Combination Therapy for the Treatment of Obesity MERCK SHARP & DOHME CORP. 2008-03-13 US disclosed
EP-1483266-B1 SPIRO COMPOUNDS WITH NPY ANTAGONISTIC ACTIVITY BANYU PHARMA CO LTD (JP) 2008-02-27 EP disclosed
EP-1534074-A4 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY MERCK & CO INC (US) 2008-01-09 EP disclosed
US-7304072-B2 E.g.,cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro[cyclohexane-1,1'(3'H)-isobenzofuran]-4-carboxamide; useful as neuropeptide Y receptor antagonists and as agents for therapy of cardiovascular disorders, central nervous system disorders, metabolic diseases, respiratory and urogenital disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-04 US disclosed
EP-1799241-A2 COMBINATION THERAPY FOR THE TREATMENT OF OBESITY Merck & Co., Inc. (US) 2007-06-27 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 (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-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 MAOB 586/4885CYP1A2 2140/4885CYP19A1 426/4885
US-20080064632-A1 Combination Therapy for the Treatment of Obesity NPY4R, GPR119, GIPR MAOB 1286/4885CYP1A2 2265/4885CYP19A1 545/4885
US-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 MAOB 528/4885CYP1A2 484/4885CYP19A1 75/4885
US-20030055251-A1 Novel spiro compounds NPY1R, GPR119, OPRK1 MAOB 553/4885CYP1A2 476/4885CYP19A1 59/4885
US-20110112102-A1 METHOD OF TREATING CANCER USING A NEUROPEPTIDE Y 5R (NP Y5R) ANTAGONIST NPY5R, NPY1R, SSTR5 MAOB 1595/4885CYP1A2 4407/4885CYP19A1 1763/4885
US-20020165391-A1 Neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY4R MAOB 960/4885CYP1A2 806/4885CYP19A1 192/4885

“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.