SCHEMBL625802

SCHEMBL625802

OC(c1ccccn1)C1(c2ccc(F)c(F)c2)CCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.69
NR1I2 O75469 1/20 0.46
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
KDM4E B2RXH2 1/20 0.35
KCNA5 P22460 3/20 0.34
KCNE1 P15382 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
SLC6A2 P23975 3/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TP53 P04637 1/20 0.32
CCR1 P32246 1/20 0.31
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL625711 0.89 TRPV3 (0.55) TRPV3NR1I2SLC6A4SLC6A3KDM4E
SCHEMBL623978 0.87 TRPV3 (0.62) TRPV3NR1I2HDAC6HDAC3HDAC1
SCHEMBL623977 0.87 TRPV3 (0.62) TRPV3NR1I2HDAC6HDAC3HDAC1
SCHEMBL624376 0.87 TRPV3 (0.62) TRPV3NR1I2KDM4EOPRM1OPRD1
SCHEMBL624746 0.85 TRPV3 (0.49) TRPV3NR1I2SLC6A4SLC6A3KDM4E
SCHEMBL625858 0.85 TRPV3 (0.66) TRPV3NR1I2SLC6A4SLC6A3KDM4E
SCHEMBL625908 0.84 TRPV3 (0.65) TRPV3NR1I2SLC6A4SLC6A3KDM4E
SCHEMBL625563 0.82 TRPV3 (1.00) TRPV3NR1I2SLC6A4SLC6A3SLC6A2
SCHEMBL625562 0.82 TRPV3 (1.00) TRPV3NR1I2SLC6A4SLC6A3SLC6A2
SCHEMBL624769 0.80 TRPV3 (0.55) TRPV3NR1I2SLC6A4SLC6A3KDM4E

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 210/4885SLC6A4 467/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 219/4885SLC6A4 511/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 221/4885SLC6A4 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.