SCHEMBL17815980

SCHEMBL17815980

Cc1ccc(OCC(C)(F)F)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 3/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
LMNA P02545 2/20 0.39
S1PR4 O95977 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL17815731 0.89 CYP2C9 (0.45) CYP2C9SMN1; SMN2L3MBTL1KMT2ANPC1
SCHEMBL12017707 0.87 L3MBTL1 (0.46) CYP2C9SMN1; SMN2L3MBTL1KMT2ANPC1
SCHEMBL11959661 0.85 L3MBTL1 (0.49) CYP2C9SMN1; SMN2L3MBTL1KMT2ANPC1
SCHEMBL20207653 0.84 MRGPRX4 (0.43) CYP2C9MRGPRX4HTR1A
SCHEMBL19489148 0.84 SSTR4 (0.50) L3MBTL1MAPTMRGPRX4LMNAKDM4E
SCHEMBL17815713 0.82 MAPT (0.49) CYP2C9SMN1; SMN2L3MBTL1KMT2ANPC1
SCHEMBL17815717 0.82 SYK (0.47) CYP2C9
SCHEMBL12526094 0.81 VDR (0.54) CYP2C9SMN1; SMN2L3MBTL1KMT2ANPC1
SCHEMBL17815773 0.81 SMN1; SMN2 (0.41) CYP2C9SMN1; SMN2L3MBTL1KMT2ANPC1
SCHEMBL20206858 0.80 CYP2C9 (0.44) CYP2C9SMN1; SMN2L3MBTL1KMT2AMAPT

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 CYP2C9 3288/4885SMN1; SMN2 714/4885L3MBTL1 4161/4885

“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.