SCHEMBL13470632

SCHEMBL13470632

CN1CCC(F)(c2ccc(C#N)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FASN P49327 14/20 0.45
CHEK1 O14757 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL12489188 0.81 FASN (0.51) FASN
SCHEMBL12686755 0.80 MAPKAPK2 (0.39) FASNKDM4EALDH1A1L3MBTL1
SCHEMBL12488191 0.77 FASN (0.48) FASN
SCHEMBL13470578 0.76 OPRM1 (0.45) FASNHRH3
SCHEMBL23367735 0.72 FASN (0.52) FASN
Trifluoroacetic Acid SCHEMBL12489351 0.70 FASN (0.39) FASNBACE1
SCHEMBL6884856 0.70 GRIN1 (0.45) HRH3
SCHEMBL3592250 0.69 KDM4E (0.54) CHEK1KDM4EALDH1A1L3MBTL1HRH3
SCHEMBL13650611 0.68 MAPKAPK2 (0.39) FASNKDM4EALDH1A1L3MBTL1
SCHEMBL12489370 0.68 FASN (0.41) FASNALDH1A1

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
WO-2018089904-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2018-05-17 WO disclosed
US-20120264737-A1 Heterocyclic Modulators of Lipid Synthesis 3-V BIOSCIENCES, INC. (US) 2012-10-18 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-20120264737-A1 Heterocyclic Modulators of Lipid Synthesis FASN, FADS1, FADS2 FASN 1/4885CHEK1 3125/4885KDM4E 2267/4885

“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.