SCHEMBL625795

SCHEMBL625795

OC(c1ccccn1)C1(c2ccc(C(F)(F)F)cc2)CCC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.62
NR1I2 O75469 1/20 0.54
OPRM1 P35372 3/20 0.38
OPRL1 P41146 3/20 0.38
PDE2A O00408 2/20 0.37
TLR7 Q9NYK1 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
AHR P35869 1/20 0.36
MAPT P10636 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KCNA5 P22460 3/20 0.34
KCNE1 P15382 1/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
PHGDH O43175 1/20 0.33
THRB P10828 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
SCHEMBL625794 1.00 TRPV3 (0.62) TRPV3NR1I2OPRM1OPRL1PDE2A
SCHEMBL14893654 0.89 NR1I2 (0.51) TRPV3NR1I2OPRM1OPRL1PDE2A
SCHEMBL625365 0.89 NR1I2 (0.51) TRPV3NR1I2OPRM1OPRL1PDE2A
SCHEMBL624676 0.88 TRPV3 (0.64) TRPV3NR1I2MAPTKDM4EKCNA5
SCHEMBL14894282 0.87 TRPV3 (0.50) TRPV3NR1I2OPRM1OPRL1AHR
SCHEMBL625314 0.86 TRPV3 (0.61) TRPV3NR1I2OPRM1OPRL1TLR7
SCHEMBL14894544 0.86 NR1I2 (0.72) TRPV3NR1I2OPRM1OPRL1TLR7
SCHEMBL14894075 0.86 NR1I2 (0.72) TRPV3NR1I2OPRM1OPRL1TLR7
SCHEMBL14893437 0.86 NR1I2 (0.53) TRPV3NR1I2OPRM1OPRL1PDE2A
SCHEMBL625376 0.85 TRPV3 (0.43) TRPV3NR1I2OPRM1OPRL1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP claimed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US claimed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO claimed
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2771322-A2 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2014-09-03 EP disclosed
US-8772499-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
US-8772500-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
US-20140080803-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2014-03-20 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
US-20130131036-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-23 US disclosed
WO-2013062964-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO disclosed
WO-2013062966-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 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-20130131036-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 210/4885OPRM1 175/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 219/4885OPRM1 121/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 221/4885OPRM1 121/4885

“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.