SCHEMBL625858

SCHEMBL625858

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.66
NR1I2 O75469 1/20 0.51
GRIN2B Q13224 1/20 0.38
NPY5R Q15761 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KCNA5 P22460 3/20 0.36
KCNE1 P15382 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
ALDH1A1 P00352 1/20 0.34
IDO1 P14902 1/20 0.34
DRD2 P14416 2/20 0.33
TP53 P04637 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
DRD3 P35462 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL624975 0.88 TRPV3 (0.52) TRPV3NR1I2GRIN2BNPY5RKDM4E
SCHEMBL624448 0.86 TRPV3 (0.66) TRPV3NR1I2KDM4EKCNA5KCNE1
SCHEMBL14956815 0.86 TRPV3 (0.66) TRPV3NR1I2KDM4EKCNA5KCNE1
SCHEMBL625811 0.85 TRPV3 (0.65) TRPV3NR1I2KDM4EKCNA5KCNE1
SCHEMBL625908 0.85 TRPV3 (0.65) TRPV3NR1I2KDM4EKCNA5KCNE1
SCHEMBL625795 0.85 TRPV3 (0.62) TRPV3NR1I2KDM4EKCNA5KCNE1
SCHEMBL625794 0.85 TRPV3 (0.62) TRPV3NR1I2KDM4EKCNA5KCNE1
SCHEMBL625802 0.85 TRPV3 (0.69) TRPV3NR1I2KDM4EKCNA5KCNE1
SCHEMBL625886 0.84 TRPV3 (0.46) TRPV3NR1I2GRIN2BNPY5ROPRM1
SCHEMBL624589 0.82 TRPV3 (0.46) TRPV3NR1I2GRIN2BNPY5RKDM4E

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 210/4885GRIN2B 557/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 219/4885GRIN2B 622/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 221/4885GRIN2B 659/4885

“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.