SCHEMBL624516

SCHEMBL624516

OC(c1ccccn1)C1(c2ccc(Cl)cc2)CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.58
NR1I2 O75469 1/20 0.46
CCR1 P32246 1/20 0.40
OPRM1 P35372 2/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
P2RX7 Q99572 5/20 0.36
CHRM2 P08172 3/20 0.35
ADRA2B P18089 3/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
HRH1 P35367 3/20 0.35
SLC6A3 Q01959 3/20 0.35
KCNH2 Q12809 3/20 0.35
HRH3 Q9Y5N1 3/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
HRH2 P25021 2/20 0.35
HTR2A P28223 2/20 0.35
OPRK1 P41145 2/20 0.35

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
SCHEMBL625279 0.89 TRPV3 (0.53) TRPV3NR1I2OPRM1SLC6A2SLC6A4
SCHEMBL624975 0.87 TRPV3 (0.52) TRPV3NR1I2OPRM1DRD2KCNH2
SCHEMBL626364 0.86 TRPV3 (0.80) TRPV3NR1I2SLC6A2SLC6A4SLC6A3
SCHEMBL625711 0.84 TRPV3 (0.55) TRPV3NR1I2CCR1OPRM1P2RX7
SCHEMBL625365 0.84 NR1I2 (0.51) TRPV3NR1I2OPRM1P2RX7HRH3
SCHEMBL624525 0.81 NR1I2 (0.72) TRPV3NR1I2SLC6A2SLC6A4SLC6A3
SCHEMBL626324 0.79 TRPV3 (0.52) TRPV3NR1I2OPRM1KCNH2OPRK1
SCHEMBL14893888 0.77 NR1I2 (0.49) TRPV3NR1I2OPRM1SLC6A4SLC6A3
SCHEMBL14893638 0.77 NR1I2 (0.49) TRPV3NR1I2OPRM1P2RX7HRH3
SCHEMBL14893992 0.77 TRPV3 (0.45) TRPV3NR1I2CCR1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US claimed
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
US-8772499-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
US-8772500-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-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 210/4885CCR1 1099/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 219/4885CCR1 713/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 221/4885CCR1 636/4885

“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.