SCHEMBL1897563

SCHEMBL1897563

Oc1ccc(-c2cn[c]cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
MAPT P10636 4/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.41
RIPK1 Q13546 1/20 0.41
MEN1 O00255 8/20 0.41
KMT2A Q03164 8/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
AR P10275 1/20 0.39
AKR1B1 P15121 1/20 0.38
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL2438644 0.80 MAPK1 (0.41) MAPTALDH1A1POLBMAPK1MEN1
SCHEMBL2436407 0.80 RAB9A (0.46) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL482024 0.79 RAB9A (0.39) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL1896111 0.78 HSD17B1 (0.65) KDM1APIK3CG
SCHEMBL9585821 0.78
SCHEMBL10462380 0.76 METAP2 (0.46) MAPTALDH1A1MAPK1NPC1RAB9A
SCHEMBL3977992 0.75 BCHE (0.57) BCHEMAPTALDH1A1POLBHPGD
SCHEMBL10462004 0.74 SMN1; SMN2 (0.44) MAPTALDH1A1HPGDHSD17B10MAPK1
SCHEMBL9437048 0.72
SCHEMBL4781592 0.69 MAPT (0.43) BCHEMAPTALDH1A1POLBHPGD

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 49 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
CN-102014900-B Method of treating cancer using a neuropeptide Y5R (NPY5R) antagonist UNIV HEALTH NETWORK 2014-04-02 CN disclosed
US-20110112102-A1 METHOD OF TREATING CANCER USING A NEUROPEPTIDE Y 5R (NP Y5R) ANTAGONIST UNIVERSITY HEALTH NETWORK 2011-05-12 US disclosed
CN-102014900-A Method of treating cancer using a neuropeptide Y5R (NPY5R) antagonist UNIV HEALTH NETWORK 2011-04-13 CN 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
CN-100457757-C Novel spiro compounds BANYU PHARMA CO LTD (JP) 2009-02-04 CN 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
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 BCHE 2246/4885MAPT 4590/4885ALDH1A1 2469/4885
US-20080064632-A1 Combination Therapy for the Treatment of Obesity NPY4R, GPR119, GIPR BCHE 2705/4885MAPT 3788/4885ALDH1A1 4409/4885
US-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 BCHE 1892/4885MAPT 1196/4885ALDH1A1 1352/4885
US-20110112102-A1 METHOD OF TREATING CANCER USING A NEUROPEPTIDE Y 5R (NP Y5R) ANTAGONIST NPY5R, NPY1R, SSTR5 BCHE 3303/4885MAPT 4147/4885ALDH1A1 4639/4885
US-20020165391-A1 Neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY4R BCHE 1331/4885MAPT 805/4885ALDH1A1 3364/4885

“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.