SCHEMBL17811838

SCHEMBL17811838

CC(C)c1ccc(OCC2CC2(F)F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 16/20 0.41
▸ PPARG P37231 2/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ FFAR4 Q5NUL3 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
SCHEMBL17812434 0.86 IDH1 (0.38) ACACBPPARGPPARAFFAR4
SCHEMBL17811813 0.84 ACACB (0.39) ACACB
SCHEMBL24313897 0.83 ACACB (0.38) ACACB
SCHEMBL29469892 0.83 ACACB (0.38) ACACB
SCHEMBL24314212 0.83 ACACB (0.39) ACACB
SCHEMBL13091261 0.82 ACACB (0.41) ACACB
SCHEMBL20820450 0.81 FFAR4 (0.37) ACACBFFAR4
SCHEMBL24314213 0.81 ALDH1A1 (0.41) ACACB
SCHEMBL24314292 0.80 ACACB (0.37) ACACB
SCHEMBL13678313 0.80 KMO (0.47) ACACB

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 ACACB 2002/4885PPARG 1649/4885PPARA 1438/4885
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels TRPV1, TRPA1, KCNJ2 ACACB 2002/4885PPARG 1649/4885PPARA 1438/4885

“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.

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