SCHEMBL717435

SCHEMBL717435

O=C(c1ccccc1F)C1CCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
GAA P10253 4/20 0.50
POLB P06746 1/20 0.50
HSD11B1 P28845 1/20 0.50
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 1/20 0.48
MGLL Q99685 1/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PTPN1 P18031 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
EPHX2 P34913 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC6A1 P30531 1/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 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
SCHEMBL4006843 0.96 CES2 (0.52) CES2CES1GAAPOLBHSD11B1
SCHEMBL29990216 0.96 CES2 (0.52) CES2CES1GAAPOLBHSD11B1
SCHEMBL716489 0.94 CES2 (0.50) CES2CES1GAAPOLBHSD11B1
SCHEMBL29591363 0.92 CES2 (0.56) CES2CES1GAAHSD11B1ALDH1A1
SCHEMBL718095 0.92 CES2 (0.56) CES2CES1GAAHSD11B1ALDH1A1
SCHEMBL9851969 0.84 HTR3E (0.55) CES2CES1GAAHSD11B1ALDH1A1
SCHEMBL16861843 0.84 CES2 (0.47) CES2CES1GAAHSD11B1ALDH1A1
Hydrochloric Acid SCHEMBL10395823 0.82 HTR3E (0.54) CES2CES1GAAHSD11B1ALDH1A1
SCHEMBL6661943 0.81 HSD11B1 (0.55) HSD11B1ALDH1A1MGLLKMT2AEPHX2
SCHEMBL23569919 0.81 CES2 (0.41) CES2CES1GAAPOLBHSD11B1

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 12 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
EP-2029614-A2 COLD MENTHOL RECEPTOR-1 ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-03-04 EP 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

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 CES2 2657/4885CES1 1013/4885GAA 2871/4885
US-20120184510-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 CES2 2657/4885CES1 1013/4885GAA 2871/4885
US-20120053347-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 CES2 2657/4885CES1 1013/4885GAA 2871/4885
US-20080287398-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 CES2 2657/4885CES1 1013/4885GAA 2871/4885
US-20140100194-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 CES2 2657/4885CES1 1013/4885GAA 2871/4885

“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.