SCHEMBL624924

SCHEMBL624924

N#CC1(c2ccc(C(F)(F)F)c(C(F)(F)F)c2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
OPRM1 P35372 4/20 0.37
WDR5 P61964 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
AR P10275 1/20 0.33

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
SCHEMBL625339 0.87 KCNN4 (0.39) CYP1A2OPRM1WDR5SLC6A4SLC6A3
SCHEMBL624379 0.87 KIF11 (0.43) CYP1A2NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL20459117 0.79 OPRM1 (0.49) OPRM1SLC6A4SLC6A3
SCHEMBL29844199 0.79 OPRM1 (0.49) CYP1A2OPRM1SLC6A4SLC6A3AR
SCHEMBL23588221 0.79 OPRM1 (0.49) CYP1A2OPRM1SLC6A4SLC6A3AR
SCHEMBL626219 0.77 SLC6A3 (0.45) CYP1A2OPRM1SLC6A4SLC6A3NPC1
SCHEMBL625836 0.75 SLC6A4 (0.50) OPRM1SLC6A4SLC6A3KMT2A
SCHEMBL4597586 0.74 APP (0.44) CYP1A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL625815 0.74 SLC6A4 (0.45) OPRM1WDR5SLC6A4SLC6A3NPC1
SCHEMBL3158074 0.74 SLC6A3 (0.49) CYP1A2OPRM1SLC6A4SLC6A3NPC1

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 CYP1A2 3026/4885OPRM1 121/4885WDR5 1498/4885

“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.