SCHEMBL624746

SCHEMBL624746

OC(c1ncccn1)C1(c2ccc(F)c(F)c2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.49
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 5/20 0.37
SLC6A2 P23975 4/20 0.35
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
NR1I2 O75469 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MPI P34949 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL625802 0.85 TRPV3 (0.69) TRPV3SLC6A4SLC6A3SLC6A2HDAC6
SCHEMBL625886 0.84 TRPV3 (0.46) TRPV3SLC6A3HDAC6HDAC3HDAC1
SCHEMBL624615 0.83 TRPV3 (0.46) TRPV3SLC6A4SLC6A3SLC6A2HDAC6
SCHEMBL627342 0.80 TRPV3 (0.74) TRPV3SLC6A4SLC6A3SLC6A2
SCHEMBL624829 0.80 TRPV3 (0.74) TRPV3SLC6A4SLC6A3SLC6A2
SCHEMBL624830 0.80 TRPV3 (0.74) TRPV3SLC6A4SLC6A3SLC6A2
SCHEMBL625376 0.77 TRPV3 (0.43) TRPV3SLC6A4SLC6A3SLC6A2HDAC6
SCHEMBL624514 0.77 TRPV3 (0.43) TRPV3SLC6A4SLC6A3SLC6A2HDAC6
SCHEMBL624513 0.77 TRPV3 (0.43) TRPV3SLC6A4SLC6A3SLC6A2HDAC6
SCHEMBL625816 0.77 TRPV3 (0.39) TRPV3HDAC6HDAC3HDAC1HDAC2

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-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US 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
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.