SCHEMBL17815696

SCHEMBL17815696

Cc1ccc2c(c1)OCC(COC(F)(F)F)O2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.45
FFAR1 O14842 4/20 0.41
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
ALOX5 P09917 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
SCHEMBL17811768 0.83 FFAR1 (0.41) CA2FFAR1L3MBTL1MAPK1
SCHEMBL17815971 0.82 CA2 (0.46) CA2FFAR1GAAL3MBTL1RAB9A
SCHEMBL16372327 0.79 MAPK1 (0.46) FFAR1L3MBTL1RAB9AMAPK1ALOX5
SCHEMBL16371823 0.79 MTNR1A (0.42) FFAR1L3MBTL1RAB9ALMNAMAPK1
SCHEMBL8259889 0.77 CA2 (0.56) CA2FFAR1GAAL3MBTL1RAB9A
SCHEMBL8596072 0.76 CA2 (0.51) CA2GAARAB9ALMNA
SCHEMBL1107090 0.76 CA2 (0.51) CA2GAARAB9ALMNA
SCHEMBL8288367 0.76 CA2 (0.51) CA2GAARAB9ALMNA
SCHEMBL9116625 0.76 CA2 (0.55) CA2GAARAB9ALMNA
SCHEMBL1107087 0.76 CA2 (0.51) CA2GAARAB9ALMNA

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 CA2 249/4885FFAR1 898/4885GAA 2360/4885

“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.