SCHEMBL14893504

SCHEMBL14893504

O[C@H](c1ncccn1)[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H](O)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.53
SLC6A3 Q01959 16/20 0.39
SLC6A4 P31645 15/20 0.39
SLC6A2 P23975 9/20 0.37
KCNH2 Q12809 5/20 0.35
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM4 Q14833 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
SCHEMBL14893494 1.00 TRPV3 (0.53) TRPV3SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL14893503 1.00 TRPV3 (0.53) TRPV3SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL14894140 1.00 TRPV3 (0.53) TRPV3SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL14893495 1.00 TRPV3 (0.53) TRPV3SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL14893845 0.86 TRPV3 (0.73) TRPV3SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL14893614 0.86 TRPV3 (0.73) TRPV3SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL14893749 0.86 TRPV3 (0.73) TRPV3SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL14893615 0.86 TRPV3 (0.73) TRPV3SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL14893843 0.86 TRPV3 (0.73) TRPV3SLC6A3SLC6A4SLC6A2KCNH2
SCHEMBL14893847 0.86 TRPV3 (0.73) TRPV3SLC6A3SLC6A4SLC6A2KCNH2

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
EP-2771322-A2 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2014-09-03 EP claimed
US-8772499-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US claimed
US-20140080803-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2014-03-20 US claimed
WO-2013062964-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 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
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

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 TRPV3 1/4885SLC6A3 553/4885SLC6A4 467/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885SLC6A3 747/4885SLC6A4 498/4885

“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.