SCHEMBL625562

SCHEMBL625562

O[C@H](c1ccccn1)C1(c2ccc(Cl)c(Cl)c2)CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 1.00
SLC6A4 P31645 13/20 0.45
SLC6A3 Q01959 13/20 0.45
SLC6A2 P23975 8/20 0.45
KCNH2 Q12809 4/20 0.43
NR1I2 O75469 1/20 0.43
CYP2D6 P10635 1/20 0.42
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL625563 1.00 TRPV3 (1.00) TRPV3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL624943 0.96 TRPV3 (0.93) TRPV3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL14893520 0.95 TRPV3 (0.90) TRPV3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL14893522 0.95 TRPV3 (0.90) TRPV3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL626364 0.89 TRPV3 (0.80) TRPV3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL14893438 0.89 TRPV3 (0.80) TRPV3SLC6A4SLC6A3SLC6A2NR1I2
SCHEMBL14893550 0.87 TRPV3 (0.76) TRPV3SLC6A4SLC6A3SLC6A2NR1I2
SCHEMBL14893890 0.86 TRPV3 (0.75) TRPV3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL624830 0.85 TRPV3 (0.74) TRPV3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL627342 0.85 TRPV3 (0.74) TRPV3SLC6A4SLC6A3SLC6A2KCNH2

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 1/4885SLC6A4 467/4885SLC6A3 553/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885SLC6A4 511/4885SLC6A3 717/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885SLC6A4 498/4885SLC6A3 747/4885

“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.