SCHEMBL1894201

SCHEMBL1894201

FC(F)(F)c1cnc2cc[c]nc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
KDM4E B2RXH2 4/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PKM P14618 2/20 0.33
POLB P06746 2/20 0.33
MET P08581 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
USP2 O75604 1/20 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
SCHEMBL209277 0.76 PDGFRB (0.30)
SCHEMBL406463 0.73 KDM4E (0.43) NOS3NOS2KDM4EPKMPARP1
SCHEMBL406456 0.73 BACE1 (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL208939 0.72 DYRK1A (0.37) ALDH1A1SMN1; SMN2MAPTHTTKMT2A
SCHEMBL17442639 0.70 BACE1 (0.34) ALDH1A1SMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL407917 0.69 BACE1 (0.51) KDM4EPKM
SCHEMBL1901140 0.68 HDAC4 (0.34)
SCHEMBL208992 0.68 PARP1 (0.32) PARP1
SCHEMBL28330304 0.67 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL2896419 0.67 BACE1 (0.38) ALDH1A1SMN1; SMN2KDM4ERAB9AMAPT

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 42 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 NOS3 840/4885NOS2 1074/4885ALDH1A1 2469/4885
US-20080064632-A1 Combination Therapy for the Treatment of Obesity NPY4R, GPR119, GIPR NOS3 100/4885NOS2 1114/4885ALDH1A1 4409/4885
US-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 NOS3 354/4885NOS2 309/4885ALDH1A1 1352/4885
US-20030055251-A1 Novel spiro compounds NPY1R, GPR119, OPRK1 NOS3 370/4885NOS2 352/4885ALDH1A1 1220/4885
US-20110112102-A1 METHOD OF TREATING CANCER USING A NEUROPEPTIDE Y 5R (NP Y5R) ANTAGONIST NPY5R, NPY1R, SSTR5 NOS3 1054/4885NOS2 1155/4885ALDH1A1 4639/4885
US-20020165391-A1 Neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY4R NOS3 314/4885NOS2 284/4885ALDH1A1 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.