SCHEMBL716503

SCHEMBL716503

CCOP(=O)(Cc1cc2ccccc2s1)OCc1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.42
CYP2A6 P11509 3/20 0.39
ADRB2 P07550 1/20 0.39
ASIC3 Q9UHC3 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
IDH1 O75874 1/20 0.36
TYMP P19971 1/20 0.34
MAOB P27338 1/20 0.33
CHRNA7 P36544 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL8290959 0.89 CYP2A6 (0.47) AGXTCYP2A6ADRB2ASIC3LOXL2
SCHEMBL719282 0.88 AGXT (0.40) AGXTCYP2A6ADRB2ASIC3LOXL2
SCHEMBL718368 0.81 AGXT (0.40) AGXTCYP2A6ADRB2ASIC3LOXL2
SCHEMBL6480983 0.76 TSHR (0.50) MAOB
SCHEMBL916350 0.74 CCNT1 (0.43) CCNT1CDK9MAPT
SCHEMBL11536507 0.70 TSHR (0.46) MAOB
SCHEMBL514015 0.69 ALDH1A1 (0.47) L3MBTL1MAPT
SCHEMBL10245795 0.69 CYP2A6 (0.52) CYP2A6CCNT1CDK9CHRNA7L3MBTL1
SCHEMBL702504 0.68 NPSR1 (0.47) MAPT
SCHEMBL10475843 0.67 CYP2A6 (0.59) AGXTCYP2A6ADRB2ASIC3LOXL2

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 10 patents. 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-20140100194-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2014-04-10 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
EP-2029614-B1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP disclosed
US-20120184510-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS COLBURN RAYMOND W (US) 2012-07-19 US disclosed
US-20120053347-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-01 US disclosed
US-7897781-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 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

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 AGXT 4644/4885CYP2A6 1401/4885ADRB2 150/4885
US-20120184510-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 AGXT 4644/4885CYP2A6 1401/4885ADRB2 150/4885
US-20120053347-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 AGXT 4644/4885CYP2A6 1401/4885ADRB2 150/4885
US-20080287398-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 AGXT 4644/4885CYP2A6 1401/4885ADRB2 150/4885
US-20140100194-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 AGXT 4644/4885CYP2A6 1401/4885ADRB2 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.