SCHEMBL26466340

SCHEMBL26466340

CC1(CC#N)CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
CYP3A4 P08684 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL26098362 0.81 BACE1 (0.39) BACE1CYP3A4HTTSMN1; SMN2
SCHEMBL17008348 0.76 BACE1 (0.38) BACE1CYP3A4HTTSMN1; SMN2
SCHEMBL26964637 0.75 BACE1 (0.44) BACE1CYP3A4HTTSMN1; SMN2
SCHEMBL29498916 0.75 BACE1 (0.42) BACE1CYP3A4HTTSMN1; SMN2
SCHEMBL5188479 0.74 BACE1 (0.41) BACE1CYP3A4HTTSMN1; SMN2
Ammonia Solution, Strong SCHEMBL14841695 0.72 BACE1 (0.40) BACE1CYP3A4HTTSMN1; SMN2
SCHEMBL21827648 0.72 BACE1 (0.41) BACE1CYP3A4HTTSMN1; SMN2
SCHEMBL1751115 0.72 BACE1 (0.43) BACE1SMN1; SMN2
SCHEMBL14461324 0.72 BACE1 (0.43) BACE1CYP3A4HTTSMN1; SMN2
SCHEMBL9893844 0.72 BACE1 (0.40) BACE1

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-20230140132-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-05-04 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-20230140132-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, PRMT1 BACE1 2085/4885CYP3A4 1543/4885HTT 4329/4885

“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.