SCHEMBL14893508

SCHEMBL14893508

C[C@]1(O)C[C@@](c2ccc(OC(F)(F)F)cc2)([C@H](O)c2ncccn2)C1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.61
SLC6A4 P31645 8/20 0.44
SLC6A3 Q01959 6/20 0.44
SLC6A2 P23975 1/20 0.43
TRPV3 Q8NET8 1/20 0.42
TDP1 Q9NUW8 1/20 0.36
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
CCR6 P51684 1/20 0.35
KCNH2 Q12809 1/20 0.35
PDE2A O00408 4/20 0.35
PDE5A O76074 1/20 0.35
PDE1A P54750 1/20 0.35
PDE3A Q14432 1/20 0.35
DHODH Q02127 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL14894235 1.00 NR1I2 (0.61) NR1I2SLC6A4SLC6A3SLC6A2TRPV3
SCHEMBL14894530 1.00 NR1I2 (0.61) NR1I2SLC6A4SLC6A3SLC6A2TRPV3
SCHEMBL14893657 1.00 NR1I2 (0.61) NR1I2SLC6A4SLC6A3SLC6A2TRPV3
SCHEMBL14893656 1.00 NR1I2 (0.61) NR1I2SLC6A4SLC6A3SLC6A2TRPV3
SCHEMBL14893828 0.88 NR1I2 (0.79) NR1I2SLC6A4SLC6A3SLC6A2TRPV3
SCHEMBL14893835 0.88 NR1I2 (0.79) NR1I2SLC6A4SLC6A3SLC6A2TRPV3
SCHEMBL14894484 0.88 NR1I2 (0.79) NR1I2SLC6A4SLC6A3SLC6A2TRPV3
SCHEMBL14894404 0.88 NR1I2 (0.79) NR1I2SLC6A4SLC6A3SLC6A2TRPV3
SCHEMBL14893694 0.88 NR1I2 (0.79) NR1I2SLC6A4SLC6A3SLC6A2TRPV3
SCHEMBL14894403 0.88 NR1I2 (0.79) NR1I2SLC6A4SLC6A3SLC6A2TRPV3

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-2013062966-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO disclosed
WO-2013062964-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 NR1I2 210/4885SLC6A4 467/4885SLC6A3 553/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 NR1I2 221/4885SLC6A4 498/4885SLC6A3 747/4885

“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.