SCHEMBL623952

SCHEMBL623952

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

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.77
TRPV3 Q8NET8 2/20 0.58
SLC6A4 P31645 8/20 0.48
SLC6A3 Q01959 6/20 0.48
SLC6A2 P23975 2/20 0.48
PDE2A O00408 3/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
LGMN Q99538 1/20 0.35
SLC6A9 P48067 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL14893424 1.00 NR1I2 (0.77) NR1I2TRPV3SLC6A4SLC6A3SLC6A2
SCHEMBL624525 0.90 NR1I2 (0.72) NR1I2TRPV3SLC6A4SLC6A3SLC6A2
SCHEMBL14893597 0.90 NR1I2 (0.72) NR1I2TRPV3SLC6A4SLC6A3SLC6A2
SCHEMBL14894231 0.88 NR1I2 (0.69) NR1I2TRPV3SLC6A4SLC6A3SLC6A2
SCHEMBL624452 0.87 NR1I2 (0.59) NR1I2TRPV3SLC6A4SLC6A3SLC6A2
SCHEMBL14894432 0.87 NR1I2 (1.00) NR1I2TRPV3SLC6A4SLC6A3SLC6A2
SCHEMBL14894143 0.87 NR1I2 (1.00) NR1I2TRPV3SLC6A4SLC6A3SLC6A2
SCHEMBL14894020 0.87 NR1I2 (1.00) NR1I2TRPV3SLC6A4SLC6A3SLC6A2
SCHEMBL624825 0.86 NR1I2 (0.57) NR1I2TRPV3SLC6A4SLC6A3SLC6A2
SCHEMBL14894024 0.86 NR1I2 (0.73) NR1I2TRPV3SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US 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-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
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 NR1I2 210/4885TRPV3 1/4885SLC6A4 467/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 NR1I2 219/4885TRPV3 1/4885SLC6A4 511/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 NR1I2 221/4885TRPV3 1/4885SLC6A4 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.