SCHEMBL17811802

SCHEMBL17811802

Cc1cc(C(C)C)ccc1OCC(C)(C)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.42
ACHE P22303 6/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
BCHE P06276 4/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
VDR P11473 2/20 0.37
TRPA1 O75762 1/20 0.37
PTGS1 P23219 1/20 0.37
CACNA1C Q13936 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 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
SCHEMBL17811815 0.90 ACHE (0.41) AAK1ACHEBCHELMNAHTT
SCHEMBL12015804 0.89 CYP2C9 (0.43) AAK1ACHEBCHELMNAHTT
SCHEMBL11951589 0.87 ACHE (0.43) AAK1ACHEBCHELMNAHTT
SCHEMBL17812425 0.86 ACHE (0.39) AAK1ACHEKEAP1NFE2L2BCHE
SCHEMBL17811834 0.84 HTT (0.37) AAK1ACHEBCHELMNAHTT
SCHEMBL13450831 0.84 VDR (0.52) AAK1ACHEKEAP1NFE2L2BCHE
SCHEMBL11951605 0.83 FDPS (0.40) ACHEKEAP1NFE2L2BCHESMN1; SMN2
SCHEMBL20820537 0.83 AAK1 (0.45) AAK1
SCHEMBL17811806 0.83 MRGPRX4 (0.39) AAK1ACHEKEAP1NFE2L2SMN1; SMN2
SCHEMBL12015792 0.80 PDE2A (0.43) ACHEBCHELMNAHTTSMN1; SMN2

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-10233191-B2 Fused piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-19 US disclosed
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 (2 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-10233191-B2 Fused piperidine amides as modulators of ion channels TRPV1, TRPA1, KCNJ2 AAK1 457/4885ACHE 268/4885KEAP1 1393/4885
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels TRPV1, TRPA1, KCNJ2 AAK1 457/4885ACHE 268/4885KEAP1 1393/4885

“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.