SCHEMBL625805

SCHEMBL625805

OC(c1ccccn1)C1(c2ccccc2OC(F)(F)F)CCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.54
TRPV3 Q8NET8 2/20 0.49
HDAC6 Q9UBN7 1/20 0.35
SLC6A9 P48067 4/20 0.34
PKLR P30613 1/20 0.33
BDKRB1 P46663 1/20 0.33
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PDK2 Q15119 1/20 0.32
KCNA5 P22460 3/20 0.32
KCNE1 P15382 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
HCRTR1 O43613 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL14893962 0.90 NR1I2 (0.51) NR1I2TRPV3HDAC6SLC6A9PKLR
SCHEMBL626457 0.88 NR1I2 (0.40) NR1I2TRPV3HDAC6SLC6A9PKLR
SCHEMBL14894480 0.88 NR1I2 (0.49) NR1I2TRPV3HDAC6SLC6A9PKLR
SCHEMBL625260 0.81 TRPV3 (0.52) NR1I2TRPV3HDAC6SLC6A9KDM4E
SCHEMBL14893377 0.81 NR1I2 (0.44) NR1I2TRPV3HDAC6SLC6A9PKLR
SCHEMBL14893424 0.81 NR1I2 (0.77) NR1I2TRPV3SLC6A9BACE1MMP2
SCHEMBL623952 0.81 NR1I2 (0.77) NR1I2TRPV3SLC6A9BACE1MMP2
SCHEMBL624769 0.79 TRPV3 (0.55) NR1I2TRPV3KDM4EKCNA5KCNE1
SCHEMBL624452 0.78 NR1I2 (0.59) NR1I2TRPV3HDAC6SLC6A9PKLR
SCHEMBL624839 0.77 TRPV3 (0.55) NR1I2TRPV3KDM4EKCNA5KCNE1

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-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 NR1I2 210/4885TRPV3 1/4885HDAC6 1363/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 NR1I2 219/4885TRPV3 1/4885HDAC6 1203/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 NR1I2 221/4885TRPV3 1/4885HDAC6 1169/4885

“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.