SCHEMBL4867741

SCHEMBL4867741

COc1nc(C(F)(F)F)cc(CO[Si](C)(C)C(C)(C)C)c1CCN

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.35
▸ HTR2A P28223 5/20 0.34
▸ HTR2C P28335 4/20 0.34
▸ HTR2B P41595 3/20 0.32
▸ MBOAT4 Q96T53 1/20 0.30

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
SCHEMBL4792692 0.83 BACE1 (0.30) —
SCHEMBL4792876 0.82 POLB (0.32) —
SCHEMBL4660173 0.80 KDM4E (0.39) —
SCHEMBL4872156 0.80 NQO2 (0.39) —
SCHEMBL4792743 0.79 MAPT (0.33) —
SCHEMBL17462538 0.71 TAAR1 (0.43) TAAR1HTR2AHTR2CHTR2B
SCHEMBL5944772 0.71 — —
SCHEMBL2129756 0.67 MBOAT4 (0.49) TAAR1HTR2AHTR2CHTR2BMBOAT4
SCHEMBL20703436 0.65 — —
SCHEMBL20998213 0.65 — —

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-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 — — US disclosed
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-04-06 — — 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-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 TAAR1 4264/4885HTR2A 2387/4885HTR2C 2255/4885

“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.

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