SCHEMBL22101587

SCHEMBL22101587

O=C(O)C1CCC1c1ccc(F)cn1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.44
CYP2C8 P10632 5/20 0.44
CYP2C9 P11712 3/20 0.40
TBXA2R P21731 1/20 0.39

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
SCHEMBL2520710 0.89 FFAR1 (0.53) FFAR1CYP2C8CYP2C9
SCHEMBL1666790 0.89 FFAR1 (0.53) FFAR1CYP2C8CYP2C9
SCHEMBL14871759 0.89 FFAR1 (0.53) FFAR1CYP2C8CYP2C9
SCHEMBL1666789 0.89 FFAR1 (0.53) FFAR1CYP2C8CYP2C9
Hydrochloric Acid SCHEMBL2517566 0.87 FFAR1 (0.52) FFAR1CYP2C8CYP2C9
Hydrochloric Acid SCHEMBL2517563 0.87 FFAR1 (0.52) FFAR1CYP2C8CYP2C9
SCHEMBL15397536 0.80 FFAR1 (0.42) FFAR1CYP2C8CYP2C9
SCHEMBL2521957 0.79 FFAR1 (0.42) FFAR1CYP2C8CYP2C9
SCHEMBL1666779 0.79 FFAR1 (0.42) FFAR1CYP2C8CYP2C9
SCHEMBL1666781 0.79 FFAR1 (0.42) FFAR1CYP2C8CYP2C9

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-20220017525-A1 CYCLOBUTYL PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-01-20 US disclosed
WO-2020123271-A1 CYCLOBUTYL PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-06-18 WO 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-20220017525-A1 CYCLOBUTYL PYRAZOLOPYRIMIDINE PDE9 INHIBITORS PDE9A, PDE5A, PDE3B FFAR1 3388/4885CYP2C8 1706/4885CYP2C9 211/4885

“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.