SCHEMBL626138

SCHEMBL626138

Cc1ccccc1C(C)C1(C(O)c2ccccn2)CCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.44
KDM4E B2RXH2 2/20 0.37
NR1I2 O75469 1/20 0.36
KCNA5 P22460 5/20 0.36
KCNE1 P15382 1/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.33
ADRB2 P07550 1/20 0.33
SCN8A Q9UQD0 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
SCHEMBL624598 0.85 TRPV3 (0.52) TRPV3KDM4ENR1I2KCNA5KCNE1
SCHEMBL625770 0.85 TRPV3 (0.43) TRPV3KDM4ENR1I2KCNA5KCNE1
SCHEMBL626095 0.83 TRPV3 (0.46) TRPV3KDM4ENR1I2KCNA5KCNE1
SCHEMBL626384 0.79 TRPV3 (0.43) TRPV3KDM4ENR1I2KCNA5TP53
SCHEMBL625133 0.79 TRPV3 (0.48) TRPV3NR1I2KCNA5KCNH2LMNA
SCHEMBL14895928 0.76 TRPV3 (0.48) TRPV3NR1I2KCNA5TP53
SCHEMBL14893921 0.76 TRPV3 (0.46) TRPV3NR1I2CYP3A4
SCHEMBL625818 0.76 TRPV3 (0.43) TRPV3KDM4ENR1I2CYP1A2LMNA
SCHEMBL624839 0.75 TRPV3 (0.55) TRPV3KDM4ENR1I2KCNA5KCNE1
SCHEMBL626330 0.73 TRPV3 (0.48) TRPV3NR1I2

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 TRPV3 1/4885KDM4E 3571/4885NR1I2 210/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885KDM4E 3537/4885NR1I2 219/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885KDM4E 3467/4885NR1I2 221/4885

“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.