SCHEMBL625409

SCHEMBL625409

O=C(CC1(c2ccc(Cl)c(Cl)c2)CCC1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.49
SLC6A3 Q01959 16/20 0.48
SLC6A4 P31645 15/20 0.48
GRM4 Q14833 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
SLC6A2 P23975 8/20 0.45

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
SCHEMBL627096 0.86 TLR7 (0.45) SLC6A3SLC6A4
SCHEMBL15011323 0.85 GRM4 (0.47) SLC6A3SLC6A4GRM4SLC6A2
SCHEMBL628166 0.83 KDM4E (0.47) GRM4NPSR1
SCHEMBL628363 0.81 HSD11B1 (0.52) SLC6A3GRM4
SCHEMBL626251 0.81 SLC6A4 (0.43) SLC6A3SLC6A4NPSR1SLC6A2
SCHEMBL14893836 0.79 TRPV3 (0.52) TRPV3GRM4NPSR1
SCHEMBL627876 0.78 TLR7 (0.48) SLC6A3SLC6A4GRM4SLC6A2
SCHEMBL625891 0.78 SLC6A4 (0.49) SLC6A3SLC6A4SLC6A2
SCHEMBL625149 0.76 SLC6A4 (0.61) SLC6A3SLC6A4SLC6A2
SCHEMBL14957234 0.76 GRM4 (0.52) TRPV3GRM4NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 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
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 (1 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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885SLC6A3 717/4885SLC6A4 511/4885

“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.