SCHEMBL624376

SCHEMBL624376

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 3/20 0.62
NR1I2 O75469 1/20 0.47
GRM4 Q14833 2/20 0.40
RXRA P19793 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
VNN1 O95497 1/20 0.35
KCNN4 O15554 4/20 0.33
SLC22A12 Q96S37 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RPS6KB1 P23443 1/20 0.31
AR P10275 1/20 0.31
KMO O15229 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 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
SCHEMBL623977 0.91 TRPV3 (0.62) TRPV3NR1I2GRM4
SCHEMBL623978 0.91 TRPV3 (0.62) TRPV3NR1I2GRM4
SCHEMBL14894027 0.87 NR1I2 (0.62) TRPV3NR1I2GRM4RXRAGRIN1
SCHEMBL625802 0.87 TRPV3 (0.69) TRPV3NR1I2KDM4EOPRM1OPRD1
SCHEMBL625794 0.82 TRPV3 (0.62) TRPV3NR1I2KDM4EOPRM1OPRD1
SCHEMBL625795 0.82 TRPV3 (0.62) TRPV3NR1I2KDM4EOPRM1OPRD1
SCHEMBL14893564 0.81 TRPV3 (0.61) TRPV3NR1I2KDM4EOPRM1OPRD1
SCHEMBL14893563 0.81 TRPV3 (0.61) TRPV3NR1I2KDM4EOPRM1OPRD1
SCHEMBL625314 0.81 TRPV3 (0.61) TRPV3NR1I2VNN1OPRM1OPRD1
SCHEMBL624676 0.81 TRPV3 (0.64) TRPV3NR1I2KDM4E

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 210/4885GRM4 280/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 219/4885GRM4 242/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 221/4885GRM4 245/4885

“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.