SCHEMBL17811809

SCHEMBL17811809

COc1cc(C(C)C)ccc1OCC1CC(F)(F)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.40
ACACB O00763 3/20 0.39
MAOA P21397 1/20 0.39
TRPC6 Q9Y210 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GPR88 Q9GZN0 1/20 0.38
FDPS P14324 1/20 0.37
KDM1A O60341 1/20 0.37
LMNA P02545 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 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
SCHEMBL17812426 0.90 PDE4B (0.40) PDE4BMAOATRPC6RAB9AALDH1A1
SCHEMBL17811831 0.84 GPR88 (0.38) ACACBALDH1A1GPR88LMNABCHE
SCHEMBL17811837 0.83 PDE4B (0.40) PDE4BRAB9AALDH1A1FDPSKDM1A
SCHEMBL17812434 0.83 IDH1 (0.38) ACACBGPR88PPARGPPARA
SCHEMBL17811833 0.83 PDE4B (0.46) PDE4BRAB9AALDH1A1
SCHEMBL17815741 0.83 ACHE (0.49) MAOATRPC6RAB9AALDH1A1ACHE
SCHEMBL13580088 0.82 KDM4E (0.53) PDE4BACACBMAOATRPC6ALDH1A1
SCHEMBL20820260 0.81 HPGD (0.40) ACACBGPR88
SCHEMBL17812427 0.78 FDPS (0.41) ACACBMAOARAB9AALDH1A1FDPS
SCHEMBL17811836 0.77 FDPS (0.40) MAOARAB9AALDH1A1FDPSLMNA

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 PDE4B 766/4885ACACB 2002/4885MAOA 2734/4885
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels TRPV1, TRPA1, KCNJ2 PDE4B 766/4885ACACB 2002/4885MAOA 2734/4885

“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.