SCHEMBL625339

SCHEMBL625339

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AR P10275 2/20 0.38
CYP1A2 P05177 2/20 0.38
OPRM1 P35372 3/20 0.35
WDR5 P61964 1/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35

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
SCHEMBL624379 0.88 KIF11 (0.43) NPC1ALDH1A1LMNATP53NFKB1
SCHEMBL624924 0.87 CYP1A2 (0.39) NPC1ALDH1A1LMNATP53NFKB1
SCHEMBL625815 0.82 SLC6A4 (0.45) NPC1ALDH1A1LMNATP53NFKB1
SCHEMBL19303869 0.79 OPRM1 (0.39) KCNN4NPC1ALDH1A1LMNATP53
SCHEMBL18742666 0.78 WDR5 (0.41) NPC1ALDH1A1LMNATP53NFKB1
SCHEMBL433782 0.77 SLC6A4 (0.51) NPC1ALDH1A1LMNATP53NFKB1
SCHEMBL20459117 0.76 OPRM1 (0.49) OPRM1SLC6A4SLC6A3
SCHEMBL626219 0.75 SLC6A3 (0.45) NPC1ALDH1A1LMNATP53NFKB1
SCHEMBL25382799 0.75 PDE2A (0.40) KCNN4NPC1ALDH1A1LMNATP53
SCHEMBL2200912 0.74 SLC6A4 (0.43) NPC1ALDH1A1LMNATP53NFKB1

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 KCNN4 74/4885NPC1 1833/4885ALDH1A1 2560/4885

“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.