SCHEMBL625133

SCHEMBL625133

CC(c1ccc(Cl)cc1)C1(C(O)c2ccccn2)CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.48
CHRM2 P08172 3/20 0.42
ADRA2B P18089 3/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
HRH1 P35367 3/20 0.42
SLC6A3 Q01959 3/20 0.42
KCNH2 Q12809 3/20 0.42
HRH3 Q9Y5N1 3/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
HRH2 P25021 2/20 0.42
HTR2A P28223 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
ADRA1A P35348 1/20 0.42
SCN1A P35498 1/20 0.42

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
SCHEMBL626095 0.89 TRPV3 (0.46) TRPV3CHRM2SLC6A2SLC6A4SLC6A3
SCHEMBL626384 0.87 TRPV3 (0.43) TRPV3SLC6A3CYP2C9TSHRADRA1A
SCHEMBL14895928 0.86 TRPV3 (0.48) TRPV3SLC6A2SLC6A4SLC6A3OPRK1
SCHEMBL14893921 0.84 TRPV3 (0.46) TRPV3HRH3OPRK1NPSR1NR1I2
SCHEMBL624598 0.83 TRPV3 (0.52) TRPV3SLC6A2SLC6A4CYP2C19NR1I2
SCHEMBL625818 0.79 TRPV3 (0.43) TRPV3CHRM2SLC6A2SLC6A4SLC6A3
SCHEMBL626138 0.79 TRPV3 (0.44) TRPV3KCNH2LMNANR1I2KCNA5
SCHEMBL625770 0.78 TRPV3 (0.43) TRPV3KCNH2FFAR2LMNANR1I2
SCHEMBL626330 0.76 TRPV3 (0.48) TRPV3SLC6A2SLC6A4L3MBTL1OPRK1
SCHEMBL625217 0.71 TLR7 (0.43) L3MBTL1OPRK1FFAR2S1PR1S1PR3

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 14 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-2013062966-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO 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 1/4885CHRM2 144/4885ADRA2B 295/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885CHRM2 143/4885ADRA2B 378/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885CHRM2 132/4885ADRA2B 341/4885

“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.