SCHEMBL26633046

SCHEMBL26633046

CC(C)C(C)n1ccc2ccc(N)nc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ NOS2 P35228 2/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ BACE1 P56817 2/20 0.31
▸ NCK1 P16333 1/20 0.31
▸ NCF1 P14598 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
SCHEMBL29565102 0.85 CDK1 (0.35) MCHR1HTR2ANOS2NOS3NOS1
SCHEMBL31275671 0.71 MCHR1 (0.33) MCHR1NOS2NOS3NOS1BACE1
SCHEMBL15091312 0.71 PIK3CB (0.44) MCHR1NOS2NOS3NOS1BACE1
SCHEMBL26632865 0.68 PIK3CB (0.46) NOS2NOS3NOS1
SCHEMBL20350724 0.67 CDK1 (0.37) —
SCHEMBL24334808 0.67 CCNA2 (0.31) —
SCHEMBL26596995 0.67 NOS2 (0.33) MCHR1NOS2NOS3NOS1BACE1
SCHEMBL26658350 0.67 CDK1 (0.35) MCHR1NOS2NOS3NOS1BACE1
SCHEMBL26632791 0.66 BACE1 (0.35) NOS2NOS3NOS1BACE1NCK1
SCHEMBL16884032 0.64 CCR1 (0.38) HTR2A

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-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 — — 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-11795192-B2 Antimicrobial compounds, compositions, and uses thereof CAT, MPO, NISCH MCHR1 3969/4885HTR2A 4785/4885NOS2 967/4885

“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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