SCHEMBL626472

SCHEMBL626472

CC(c1ccc(C(F)(F)F)cc1)C1(C(=O)c2ccccn2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.46
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CES1 P23141 1/20 0.39
PDE2A O00408 3/20 0.39
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPM8 Q7Z2W7 3/20 0.38
AHR P35869 1/20 0.38
GRM4 Q14833 2/20 0.37
ACP3 P15309 1/20 0.36

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
SCHEMBL624617 0.88 TLR7 (0.46) TLR7L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL627738 0.87 NPC1 (0.41) TLR7HTTL3MBTL1CES1MEN1
SCHEMBL624860 0.86 LMNA (0.44) HTTL3MBTL1CES1EPHX2ALDH1A1
SCHEMBL624108 0.85 PTGS2 (0.40) TLR7HTTL3MBTL1CES1MEN1
SCHEMBL625217 0.84 TLR7 (0.43) TLR7HTTL3MBTL1ALDH1A1
SCHEMBL625107 0.79 NPC1 (0.39) TLR7HTTCES1ALDH1A1KMT2A
SCHEMBL27925704 0.78 HSD11B1 (0.42) CES1PDE2A
SCHEMBL624819 0.77 GRM4 (0.41) HTTL3MBTL1CES1ALDH1A1KMT2A
SCHEMBL15011536 0.77 TLR7 (0.51) TLR7HTTL3MBTL1CES1PDE2A
SCHEMBL624229 0.76 LMNA (0.41) TLR7HTTL3MBTL1CES1EPHX2

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 TLR7 1619/4885HTT 3886/4885L3MBTL1 4284/4885

“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.