SCHEMBL624448

SCHEMBL624448

Cc1ccc(C2(C(O)c3ccccn3)CCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.66
NR1I2 O75469 1/20 0.48
KDM4E B2RXH2 1/20 0.37
KCNA5 P22460 6/20 0.36
KCNE1 P15382 1/20 0.36
TP53 P04637 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36
KCNH2 Q12809 1/20 0.35
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
TSHR P16473 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
SCN5A Q14524 1/20 0.33
KCND3 Q9UK17 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
SCHEMBL625858 0.86 TRPV3 (0.66) TRPV3NR1I2KDM4EKCNA5KCNE1
SCHEMBL14956815 0.86 TRPV3 (0.66) TRPV3NR1I2KDM4EKCNA5KCNE1
SCHEMBL625811 0.85 TRPV3 (0.65) TRPV3NR1I2KDM4EKCNA5KCNE1
SCHEMBL624783 0.85 TRPV3 (0.65) TRPV3NR1I2KDM4EKCNA5KCNE1
SCHEMBL626339 0.83 TRPV3 (0.59) TRPV3NR1I2KDM4ETP53
SCHEMBL625794 0.82 TRPV3 (0.62) TRPV3NR1I2KDM4EKCNA5KCNE1
SCHEMBL625795 0.82 TRPV3 (0.62) TRPV3NR1I2KDM4EKCNA5KCNE1
SCHEMBL625942 0.82 TRPV3 (0.62) TRPV3NR1I2KDM4EKCNA5KCNE1
SCHEMBL14894515 0.82 TRPV3 (0.62) TRPV3NR1I2KDM4EKCNA5KCNE1
SCHEMBL624678 0.82 TRPV3 (0.58) TRPV3NR1I2KDM4EKCNA5KCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP claimed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US claimed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO 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-8772500-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
US-8772499-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-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 1/4885NR1I2 210/4885KDM4E 3571/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 219/4885KDM4E 3537/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 221/4885KDM4E 3467/4885

“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.