SCHEMBL2321901

SCHEMBL2321901

O=C1CC(CF)(CF)Oc2c(Cl)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.42
CNR1 P21554 5/20 0.37
CNR2 P34972 5/20 0.37
TRPV1 Q8NER1 2/20 0.34
MAPT P10636 2/20 0.33
NSD2 O96028 1/20 0.33
BCHE P06276 1/20 0.33
DAO P14920 1/20 0.33
CES1 P23141 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL2315765 0.83 TRPM8 (0.41) TRPM8TRPV1MAPTKDM4EMEN1
SCHEMBL2320625 0.76 TRPM8 (0.37) TRPM8MAPTKDM4EMEN1ALDH1A1
SCHEMBL2320079 0.74 SIGMAR1 (0.46) KDM4EALDH1A1TSHRHSD17B10SIGMAR1
SCHEMBL619893 0.74 TRPM8 (0.54) TRPM8CNR1CNR2KDM4EHTT
SCHEMBL8318100 0.72 MAOB (0.33) CNR1CNR2MAPTKDM4EALDH1A1
SCHEMBL538019 0.71 TRPM8 (0.51) TRPM8CNR1CNR2MAPTSIGMAR1
SCHEMBL2318975 0.70 TRPM8 (0.41) TRPM8CNR1CNR2TRPV1MAPT
SCHEMBL2317910 0.70 MAOB (0.44) CNR1CNR2TRPV1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL16872545 0.70 TRPM8 (0.40) TRPM8CNR1CNR2MAPTNSD2
SCHEMBL13188810 0.70 TRPM8 (0.58) TRPM8CNR1CNR2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859584-B2 TRPV1 antagonists ABBVIE, INC. (US) 2014-10-14 US disclosed
US-8609692-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-17 US disclosed
US-8604053-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-10 US disclosed
WO-2013096223-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-06-27 WO disclosed
US-20130158067-A1 TRPV1 Antagonists ABBVIE INC. (US) 2013-06-20 US disclosed
EP-2352727-A1 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-08-10 EP disclosed
EP-2352726-A1 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-08-10 EP disclosed
US-20100137360-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-06-03 US disclosed
US-20100120846-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-05-13 US disclosed
WO-2010045401-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-04-22 WO disclosed
WO-2010045402-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-04-22 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 (3 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-20100137360-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPM8 8/4885CNR1 22/4885CNR2 18/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPM8 8/4885CNR1 22/4885CNR2 18/4885
US-20130158067-A1 TRPV1 Antagonists TRPV1, NPY1R, MRGPRX1 TRPM8 23/4885CNR1 27/4885CNR2 36/4885

“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.