SCHEMBL853652

SCHEMBL853652

COC(=O)CCc1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.67
KDM4E B2RXH2 1/20 0.66
MAPT P10636 1/20 0.66
LTA4H P09960 6/20 0.66
PLA2G2A P14555 6/20 0.66
HTR1D P28221 3/20 0.65
POLB P06746 1/20 0.65
SLC6A4 P31645 1/20 0.63
SIRT2 Q8IXJ6 1/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
HSP90AA1 P07900 1/20 0.62
HSP90AB1 P08238 1/20 0.62
MTNR1A P48039 2/20 0.59
MTNR1B P49286 2/20 0.59

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
SCHEMBL853597 0.89 LTA4H (0.64) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL30176255 0.89 LTA4H (0.64) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL4573946 0.89 TRPM8 (0.69) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL852376 0.89 TRPM8 (0.72) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL852640 0.86 TRPM8 (0.66) TRPM8LTA4HPLA2G2AHTR1DPOLB
SCHEMBL9790359 0.84 HTR2A (0.59) TRPM8KDM4EMAPTMEN1KMT2A
SCHEMBL6923780 0.83 MTNR1A (0.82) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL3018752 0.83 MTNR1A (0.70) TRPM8KDM4EMAPTHTR1DPOLB
SCHEMBL7731853 0.83 TRPM8 (0.77) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL852654 0.82 MTNR1A (0.61) TRPM8MAPTLTA4HPLA2G2AHTR1D

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425010-B8 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS JANSSEN PHARMACEUTICALS INC (US) 2012-03-28 EP disclosed
EP-1425010-B1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2011-10-26 EP disclosed
EP-1425010-A4 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2009-07-29 EP disclosed
US-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester LU TIANBO 2007-09-20 US disclosed
US-7241789-B2 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICAL, INC. (US) 2007-07-10 US disclosed
US-20050250771-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-11-10 US disclosed
US-20050209225-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-09-22 US disclosed
US-6855722-B2 Substituted indoles and their use as integrin antagonists DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
EP-1425010-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-06-09 EP disclosed
EP-1423363-A1 ORAL ANTIDIABETIC AGENTS Warner-Lambert Company LLC (US) 2004-06-02 EP disclosed
WO-2003018553-A1 ORAL ANTIDIABETIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2003-03-06 WO disclosed
US-20020169200-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-14 US disclosed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 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 (4 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-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester ITGA5, ADGRE5, ITGAV TRPM8 1323/4885KDM4E 1575/4885MAPT 3128/4885
US-20050209225-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 TRPM8 734/4885KDM4E 1764/4885MAPT 2981/4885
US-20020169200-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGAL, ITGA5 TRPM8 673/4885KDM4E 1966/4885MAPT 3489/4885
US-20050250771-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 TRPM8 702/4885KDM4E 1782/4885MAPT 2916/4885

“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.