SCHEMBL625365

SCHEMBL625365

OC(c1ccccn1)C1(c2ccc(C(F)(F)F)cc2)CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.51
TRPV3 Q8NET8 2/20 0.49
HRH3 Q9Y5N1 1/20 0.36
PDE2A O00408 3/20 0.36
OPRM1 P35372 3/20 0.35
OPRL1 P41146 3/20 0.35
P2RX7 Q99572 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
AHR P35869 1/20 0.34
PHGDH O43175 1/20 0.34
TP53 P04637 1/20 0.34
EPHX2 P34913 1/20 0.33
MAPT P10636 1/20 0.33
IDH1 O75874 1/20 0.33
KDM4E B2RXH2 1/20 0.33
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 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
SCHEMBL14893638 0.93 NR1I2 (0.49) NR1I2TRPV3HRH3PDE2AOPRM1
SCHEMBL625794 0.89 TRPV3 (0.62) NR1I2TRPV3HRH3PDE2AOPRM1
SCHEMBL625795 0.89 TRPV3 (0.62) NR1I2TRPV3HRH3PDE2AOPRM1
SCHEMBL624975 0.86 TRPV3 (0.52) NR1I2TRPV3OPRM1OPRL1TP53
SCHEMBL625279 0.86 TRPV3 (0.53) NR1I2TRPV3OPRM1OPRL1TP53
SCHEMBL14893654 0.85 NR1I2 (0.51) NR1I2TRPV3HRH3PDE2AOPRM1
SCHEMBL624525 0.85 NR1I2 (0.72) NR1I2TRPV3PDE2ATLR7EPHX2
SCHEMBL624516 0.84 TRPV3 (0.58) NR1I2TRPV3HRH3OPRM1OPRL1
SCHEMBL14893698 0.83 NR1I2 (0.55) NR1I2TRPV3HRH3OPRM1OPRL1
SCHEMBL14894282 0.83 TRPV3 (0.50) NR1I2TRPV3OPRM1OPRL1AHR

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-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US claimed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP claimed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO claimed
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-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-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 (2 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 NR1I2 210/4885TRPV3 1/4885HRH3 212/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 NR1I2 221/4885TRPV3 1/4885HRH3 296/4885

“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.