SCHEMBL17815733

SCHEMBL17815733

Cc1ccc(OCC2(C(F)(F)F)CC2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SCN9A Q15858 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HPGD P15428 4/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
MKNK2 Q9HBH9 1/20 0.36
MRGPRX4 Q96LA9 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
SCHEMBL17815714 0.85 ACHE (0.49) SMN1; SMN2KMT2AMEN1SCN9AL3MBTL1
SCHEMBL12017707 0.73 L3MBTL1 (0.46) SMN1; SMN2KMT2AMEN1L3MBTL1NPC1
SCHEMBL17815731 0.71 CYP2C9 (0.45) SMN1; SMN2KMT2AMEN1L3MBTL1NPC1
SCHEMBL17815980 0.71 CYP2C9 (0.45) SMN1; SMN2KMT2AMEN1L3MBTL1NPC1
SCHEMBL4450051 0.71 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1L3MBTL1NPC1
SCHEMBL16273359 0.70 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMEN1L3MBTL1NPC1
SCHEMBL4556191 0.70 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMEN1L3MBTL1NPC1
SCHEMBL17811828 0.70 ACACB (0.38) SMN1; SMN2KMT2AMEN1SCN9AALDH1A1
SCHEMBL24252896 0.70 LMNA (0.43) SMN1; SMN2KMT2AMEN1SCN9AL3MBTL1
SCHEMBL891407 0.69 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AMEN1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED 2016-06-09 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-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels TRPV1, TRPA1, KCNJ2 SMN1; SMN2 714/4885KMT2A 1347/4885MEN1 4450/4885

“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.