SCHEMBL625932

SCHEMBL625932

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
GAA P10253 2/20 0.38
OPRD1 P41143 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 2/20 0.36
HTT P42858 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
TRPM8 Q7Z2W7 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
SCHEMBL15010843 0.86 MAPT (0.39) NPSR1TDP1MAPTMEN1KMT2A
SCHEMBL19031287 0.86 HDAC4 (0.43) NPSR1MAPTMEN1KMT2ACYP2C19
SCHEMBL627890 0.85 OPRM1 (0.43) LMNANPSR1TDP1MAPTMEN1
SCHEMBL625629 0.85 CCR2 (0.41) NPSR1MAPTMEN1KMT2AGAA
SCHEMBL625405 0.85 SMN1; SMN2 (0.45) NPSR1TDP1MAPTMEN1KMT2A
SCHEMBL19357366 0.84 L3MBTL1 (0.41) TSHRNPSR1TDP1MEN1KMT2A
SCHEMBL626372 0.84 HDAC3 (0.40) ALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL15577185 0.83 GAA (0.44) LMNATSHRNPSR1TDP1MAPT
SCHEMBL5916161 0.83 GPR119 (0.45) LMNATSHROPRD1CYP3A4GRM5
SCHEMBL19357459 0.83 SMN1; SMN2 (0.45) NPSR1TDP1MAPTMEN1KMT2A

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 LMNA 2468/4885TSHR 1091/4885NPSR1 285/4885

“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.