SCHEMBL8290959

SCHEMBL8290959

CCOP(=O)(Cc1cc2ccccc2s1)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.47
AGXT P21549 1/20 0.47
ADRB2 P07550 1/20 0.47
ASIC3 Q9UHC3 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
IDH1 O75874 1/20 0.39
RAB9A P51151 1/20 0.39
ADRA1D P25100 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL716503 0.89 AGXT (0.42) CYP2A6AGXTADRB2ASIC3LOXL2
SCHEMBL718368 0.87 AGXT (0.40) CYP2A6AGXTADRB2ASIC3LOXL2
SCHEMBL719282 0.87 AGXT (0.40) CYP2A6AGXTADRB2ASIC3LOXL2
SCHEMBL10245795 0.77 CYP2A6 (0.52) CYP2A6RAB9AKDM4ELMNAHPGD
SCHEMBL514015 0.77 ALDH1A1 (0.47) RAB9AKDM4ELMNAHPGDNR1I2
SCHEMBL10475843 0.76 CYP2A6 (0.59) CYP2A6AGXTADRB2ASIC3LOXL2
SCHEMBL1347633 0.74 HDAC3 (0.50) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL3413507 0.73 CYP2A6 (0.64) CYP2A6AGXTADRB2ASIC3LOXL2
SCHEMBL14035938 0.72 AGXT (0.64) CYP2A6AGXTADRB2ASIC3LOXL2
SCHEMBL15699765 0.72 MAPT (0.52) ASIC3RAB9AKDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090639-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2015-07-28 US disclosed
US-9090639-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2015-07-28 US disclosed
US-8629281-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA, NV (BE) 2014-01-14 US disclosed
US-8629281-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA, NV (BE) 2014-01-14 US disclosed
US-8558011-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA, NV (BE) 2013-10-15 US disclosed
US-8558011-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA, NV (BE) 2013-10-15 US disclosed
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-20120184510-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS COLBURN RAYMOND W (US) 2012-07-19 US disclosed
US-20120184510-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS COLBURN RAYMOND W (US) 2012-07-19 US disclosed
US-7897781-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 US disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US disclosed
US-20080287398-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US disclosed
US-20080027029-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-31 US disclosed
WO-2007134107-A2 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 WO disclosed
WO-2005073214-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 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-20080027029-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 CYP2A6 1401/4885AGXT 4644/4885ADRB2 150/4885
US-20100048513-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 CYP2A6 1090/4885AGXT 740/4885ADRB2 2638/4885
US-20120184510-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 CYP2A6 1401/4885AGXT 4644/4885ADRB2 150/4885
US-20090036409-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 CYP2A6 1090/4885AGXT 740/4885ADRB2 2638/4885
US-20080287398-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 CYP2A6 1401/4885AGXT 4644/4885ADRB2 150/4885

“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.