SCHEMBL626372

SCHEMBL626372

CCOC(=O)C(C#N)C1(c2cccc(OC(F)(F)F)c2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
ELANE P08246 2/20 0.36
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
SLC6A9 P48067 1/20 0.35
BRAF P15056 1/20 0.35
PDE2A O00408 1/20 0.35
SLC6A2 P23975 4/20 0.35
CETP P11597 2/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
USP30 Q70CQ3 1/20 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
SCHEMBL626724 0.87 SLC6A4 (0.48) PDE2ASLC6A2SLC6A4SLC6A3
SCHEMBL625629 0.85 CCR2 (0.41) ELANEALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL625932 0.84 LMNA (0.42) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL19357366 0.81 L3MBTL1 (0.41) ALDH1A1
SCHEMBL15010843 0.81 MAPT (0.39) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL19031287 0.81 HDAC4 (0.43) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL625405 0.81 SMN1; SMN2 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL19357459 0.78 SMN1; SMN2 (0.45) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL15011384 0.78 NPSR1 (0.40) ALDH1A1PDE2ASLC6A2SLC6A4SLC6A3
SCHEMBL627890 0.76 OPRM1 (0.43) HSD11B1ALDH1A1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US 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 HDAC3 613/4885HDAC1 995/4885HDAC2 823/4885

“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.