SCHEMBL22503549

SCHEMBL22503549

O=C(O)[C@@H]1CC1c1cnc(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.42
SIRT6 Q8N6T7 1/20 0.39
CYP2C8 P10632 2/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL20444247 1.00 FFAR1 (0.42) FFAR1SIRT6CYP2C8CYP2C9
SCHEMBL20398724 1.00 FFAR1 (0.42) FFAR1SIRT6CYP2C8CYP2C9
SCHEMBL28998297 1.00 FFAR1 (0.42) FFAR1SIRT6CYP2C8CYP2C9
SCHEMBL30123027 1.00 FFAR1 (0.42) FFAR1SIRT6CYP2C8CYP2C9
SCHEMBL28904056 1.00 FFAR1 (0.42) FFAR1SIRT6CYP2C8CYP2C9
SCHEMBL30239716 0.83 FFAR1 (0.40) FFAR1CYP2C8CYP2C9
SCHEMBL23543046 0.82 FFAR1 (0.42) FFAR1CYP2C8CYP2C9
SCHEMBL28960305 0.82 FFAR1 (0.39) FFAR1CYP2C8
SCHEMBL20398738 0.81 FFAR1 (0.38) FFAR1CYP2C8
SCHEMBL20398739 0.81 FFAR1 (0.38) FFAR1CYP2C8

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-10793530-B2 Benzylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-10-06 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-10793530-B2 Benzylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 FFAR1 13/4885SIRT6 1733/4885CYP2C8 1709/4885

“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.