SCHEMBL625378

SCHEMBL625378

OC(CC1(c2ccc(Cl)cc2)CCC1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.49
CCR1 P32246 1/20 0.42
SLC6A4 P31645 6/20 0.40
SLC6A3 Q01959 6/20 0.40
SLC6A2 P23975 5/20 0.38
CHRM2 P08172 3/20 0.38
ADRA2B P18089 3/20 0.38
HRH1 P35367 3/20 0.38
KCNH2 Q12809 3/20 0.38
HRH3 Q9Y5N1 3/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
HRH2 P25021 2/20 0.38
HTR2A P28223 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL624608 0.89 KDM4E (0.47) TRPV3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL624588 0.87 TRPV3 (0.43) TRPV3SLC6A4SLC6A3SLC6A2SIGMAR1
SCHEMBL625340 0.86 TRPV3 (0.65) TRPV3SLC6A4SLC6A3SLC6A2
SCHEMBL626127 0.86 TRPV3 (0.46) TRPV3CCR1SLC6A4SLC6A3SLC6A2
SCHEMBL27907695 0.84 TRPV3 (0.44) TRPV3CCR1SLC6A4SLC6A3SLC6A2
SCHEMBL625411 0.84 SLC6A3 (0.44) TRPV3SLC6A4SLC6A3SLC6A2HRH3
SCHEMBL27907696 0.81 TRPV3 (0.41) TRPV3CCR1SLC6A4SLC6A3SLC6A2
SCHEMBL626047 0.81 NR1I2 (0.56) TRPV3SLC6A4SLC6A3SLC6A2
SCHEMBL625714 0.79 SLC6A4 (0.43) TRPV3SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL627064 0.76 SLC6A4 (0.49) TRPV3SLC6A4SLC6A3SLC6A2OPRK1

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
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US claimed
CN-103140476-A Novel trpv3 modulators ABBOTT LAB 2013-06-05 CN 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-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
CN-103140476-A Novel trpv3 modulators ABBOTT LAB 2013-06-05 CN 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-2013062966-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 1/4885CCR1 1099/4885SLC6A4 467/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885CCR1 713/4885SLC6A4 511/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885CCR1 636/4885SLC6A4 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.