SCHEMBL626095

SCHEMBL626095

CC(c1ccccc1)C1(C(O)c2ccccn2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.46
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 1/20 0.44
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
OPRL1 P41146 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
NR1I2 O75469 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CHRM2 P08172 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
POLB P06746 1/20 0.38
KCNA5 P22460 4/20 0.37
SLC10A1 Q14973 1/20 0.36
KCNE1 P15382 1/20 0.36

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
SCHEMBL626384 0.89 TRPV3 (0.43) TRPV3SLC6A3OPRK1ALDH1A1NR1I2
SCHEMBL625133 0.89 TRPV3 (0.48) TRPV3SLC6A2SLC6A4SLC6A3OPRK1
SCHEMBL625818 0.86 TRPV3 (0.43) TRPV3SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL14895928 0.86 TRPV3 (0.48) TRPV3SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL14893921 0.86 TRPV3 (0.46) TRPV3OPRM1OPRD1OPRK1OPRL1
SCHEMBL626138 0.83 TRPV3 (0.44) TRPV3CYP1A2NR1I2KDM4EKCNA5
SCHEMBL626330 0.83 TRPV3 (0.48) TRPV3SLC6A2SLC6A4OPRM1OPRD1
SCHEMBL625770 0.82 TRPV3 (0.43) TRPV3ALDH1A1CYP1A2NR1I2KDM4E
SCHEMBL624598 0.82 TRPV3 (0.52) TRPV3SLC6A2SLC6A4OPRM1OPRL1
SCHEMBL625556 0.80 TRPV3 (0.43) TRPV3SLC6A2SLC6A4SLC6A3OPRM1

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 11 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-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 1/4885SLC6A2 1157/4885SLC6A4 467/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885SLC6A2 1774/4885SLC6A4 511/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885SLC6A2 1776/4885SLC6A4 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.