SCHEMBL13470580

SCHEMBL13470580

BN1CCC(c2ccc(C#N)nc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.39
CHEK1 O14757 10/20 0.38
PANK3 Q9H999 3/20 0.37
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL2860558 0.85 KDM4E (0.39) FASNCHEK1PANK3
SCHEMBL12686799 0.84 FASN (0.39) FASNCHEK1PANK3HRH2HRH1
SCHEMBL14045979 0.80 KDM4E (0.50) FASNCHEK1HRH3
SCHEMBL12489379 0.80 FASN (0.47) FASNCHEK1PANK3
SCHEMBL22047801 0.78 CHEK1 (0.40) FASNCHEK1
SCHEMBL18721893 0.78 ESR2 (0.44) FASNCHEK1PANK3HRH3
SCHEMBL3237238 0.76 ESR2 (0.46) FASNCHEK1PANK3HRH3PDE4B
Hydrochloric Acid SCHEMBL12489003 0.76 CHEK1 (0.49) CHEK1TLR9TLR8TLR7
SCHEMBL3555307 0.75 CHEK1 (0.33) FASNCHEK1HRH3
SCHEMBL12049591 0.74 CHEK1 (0.43) FASNCHEK1HRH3

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-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 3125/4885PANK3 1362/4885

“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.