SCHEMBL1897889

SCHEMBL1897889

O=C(c1cc[c]cc1)c1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.72
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 2/20 0.52
NAPRT Q6XQN6 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
HSD17B14 Q9BPX1 1/20 0.51
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 2/20 0.47
GSK3B P49841 1/20 0.46
MAPT P10636 2/20 0.43
TLR7 Q9NYK1 2/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
AGTR1 P30556 1/20 0.41

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
SCHEMBL29373829 0.84 KMT2A (1.00) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL398165 0.84 KMT2A (1.00) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL28015961 0.82 KMT2A (0.96) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL28005707 0.82 KMT2A (0.96) KMT2ACES2CES1L3MBTL1LMNA
Water SCHEMBL6228901 0.82 KMT2A (0.72) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL16460100 0.81 KMT2A (0.78) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL31135050 0.81 KMT2A (0.78) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL2419875 0.81 KMT2A (0.66) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL31369148 0.80 KMT2A (0.75) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL87791 0.80 KMT2A (0.75) KMT2ACES2CES1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100494182-C Regulatory factor of tumor necrosis alpha factor GENZYME CORP (US) 2009-06-03 CN claimed
CN-1441787-A Modulators of TNF-alpha signaling GENZYME CORP (US) 2003-09-10 CN claimed
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
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
EP-0641302-B1 ALCOHOLS AS POTASSIUM CHANNEL OPENERS AND IN TREATMENT OF URINARY INCONTINENCE ZENECA LTD (GB) 1997-12-10 EP disclosed
US-5411973-A Potassium channel openers, urinary incontinence ZENECA LIMITED (GB) 1995-05-02 US disclosed
EP-0641302-A1 ALCOHOLS AS POTASSIUM CHANNEL OPENERS AND IN TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1995-03-08 EP disclosed
WO-1993023358-A1 ALCOHOLS AS POTASSIUM CHANNEL OPENERS AND IN TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1993-11-25 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 (3 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-20080064632-A1 Combination Therapy for the Treatment of Obesity NPY4R, GPR119, GIPR KMT2A 2299/4885CES2 2773/4885CES1 1419/4885
US-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 KMT2A 3160/4885CES2 2659/4885CES1 1368/4885
US-20110112102-A1 METHOD OF TREATING CANCER USING A NEUROPEPTIDE Y 5R (NP Y5R) ANTAGONIST NPY5R, NPY1R, SSTR5 KMT2A 1343/4885CES2 4654/4885CES1 4112/4885

“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.