SCHEMBL273476

SCHEMBL273476

N#CCc1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.67
KDM4E B2RXH2 1/20 0.67
MAPT P10636 1/20 0.67
LTA4H P09960 4/20 0.66
PLA2G2A P14555 4/20 0.66
HTR1D P28221 6/20 0.63
SLC6A4 P31645 1/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 1/20 0.60
HSP90AA1 P07900 1/20 0.60
HSP90AB1 P08238 1/20 0.60
IMPDH2 P12268 1/20 0.58
HTR1A P08908 3/20 0.57
HTR1B P28222 3/20 0.57
CSNK2A1 P68400 1/20 0.53
NSD2 O96028 1/20 0.53
AS3MT Q9HBK9 1/20 0.53

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
SCHEMBL273357 0.90 IMPDH2 (0.69) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL29007183 0.85 TRPM8 (0.76) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL29617411 0.85 TRPM8 (0.76) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL24183187 0.84 TRPM8 (0.74) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL8868782 0.83 TRPM8 (0.65) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL28100769 0.83 TRPM8 (0.72) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL2007192 0.83 TRPM8 (0.72) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL5857843 0.82 IMPDH2 (0.81) TRPM8KDM4EMAPTLTA4HPLA2G2A
5-Benzyloxytryptamine SCHEMBL29785061 0.81 TRPM8 (1.00) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL6988545 0.81 HTR1D (0.78) TRPM8KDM4EMAPTLTA4HPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1239482-C Positive modulators for nicotinic receptor agonists ASTRAZENECA AB (SE) 2006-02-01 CN claimed
US-6750242-B1 Positive modulators of nicotinic receptor agonists ASTRAZENECA AB (SE) 2004-06-15 US claimed
CN-1387512-A Positive modulators of nicotinic receptor agonists ASTRAZENECA AB (SE) 2002-12-25 CN claimed
EP-1230216-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-08-14 EP claimed
WO-2001032619-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-05-10 WO claimed
US-20220390454-A1 BIOMARKER PANEL TARGETED TO DISEASES DUE TO MULTIFACTORIAL ONTOLOGY OF GLYCOCALYX DISRUPTION ARTEREZ, INC. (US) 2022-12-08 US disclosed
WO-2021062298-A1 BIOMARKER PANEL TARGETED TO DISEASES DUE TO MULTIFACTORIAL ONTOLOGY OF GLYCOCALYX DISRUPTION ARTEREZ, INC. (US) 2021-04-01 WO disclosed
EP-3307724-B1 (Z)-2-(1H-INDOL-3-YL)-3-(ISOQUINOLIN-5-YL)ACRYLONITRILE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOSOME INHIBITORY AND ANTI-MITOTIC ACTIVITY FOR TREATING HYPERPROLIFERATIVE DISEASES NAT UNIV SINGAPORE (SG) 2020-06-10 EP disclosed
EP-3307724-B1 (Z)-2-(1H-INDOL-3-YL)-3-(ISOQUINOLIN-5-YL)ACRYLONITRILE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOSOME INHIBITORY AND ANTI-MITOTIC ACTIVITY FOR TREATING HYPERPROLIFERATIVE DISEASES NAT UNIV SINGAPORE (SG) 2020-06-10 EP disclosed
US-10308631-B2 Selective anti-cancer compounds NATIONAL UNIVERSITY OF SINGAPORE (SG) 2019-06-04 US disclosed
US-10308631-B2 Selective anti-cancer compounds NATIONAL UNIVERSITY OF SINGAPORE (SG) 2019-06-04 US disclosed
US-20180179178-A1 SELECTIVE ANTI-CANCER COMPOUNDS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2018-06-28 US disclosed
EP-1532153-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-05-25 EP disclosed
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents AKARNA THERAPEUTICS, LTD. (GB) 2005-03-10 US disclosed
US-6750242-B1 Positive modulators of nicotinic receptor agonists ASTRAZENECA AB (SE) 2004-06-15 US disclosed
US-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. 2004-02-05 US disclosed
WO-2003099821-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2003-12-04 WO disclosed
CN-1387512-A Positive modulators of nicotinic receptor agonists ASTRAZENECA AB (SE) 2002-12-25 CN disclosed
EP-1230216-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-08-14 EP disclosed
WO-2001032619-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-05-10 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-10308631-B2 Selective anti-cancer compounds CCNA1, CCNY, CCNT1 TRPM8 4750/4885KDM4E 892/4885MAPT 4410/4885
US-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents HTR5A, MTNR1A, PTGDR TRPM8 376/4885KDM4E 4534/4885MAPT 2587/4885
US-20180179178-A1 SELECTIVE ANTI-CANCER COMPOUNDS CCNA1, CCNY, CCNT1 TRPM8 4750/4885KDM4E 892/4885MAPT 4410/4885
US-20220390454-A1 BIOMARKER PANEL TARGETED TO DISEASES DUE TO MULTIFACTORIAL ONTOLOGY OF GLYCOCALYX DISRUPTION SDCBP, LGALS2, SDC1 TRPM8 3530/4885KDM4E 3995/4885MAPT 1840/4885
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR TRPM8 251/4885KDM4E 4581/4885MAPT 3680/4885

“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.