SCHEMBL22628155

SCHEMBL22628155

CCCc1cnc(C(C)C)cc1CC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 3/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ PIM3 Q86V86 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
SCHEMBL24759678 0.88 NOS3 (0.39) DHFRNOS3NOS1NOS2ALOX15
SCHEMBL22725611 0.81 GABRP (0.37) ALOX15
SCHEMBL21076527 0.81 NOS3 (0.35) DHFRNOS3NOS1NOS2ALOX15
SCHEMBL24478545 0.79 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL19508069 0.79 P2RX3 (0.35) DHFRNOS3NOS1NOS2ALOX15
SCHEMBL16414449 0.78 DHFR (0.33) DHFRNOS3NOS1NOS2
SCHEMBL21076466 0.77 NOS3 (0.33) NOS3NOS1NOS2ALOX15ALOX12
SCHEMBL23231054 0.77 NOS3 (0.41) NOS3NOS1NOS2ALOX15ALOX12
SCHEMBL24730694 0.77 NOS3 (0.37) DHFRNOS3NOS1NOS2ALOX15
SCHEMBL12749938 0.77 NOS3 (0.55) DHFRNOS3NOS1NOS2ALOX15

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-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-05 — — 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-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 DHFR 3723/4885NOS3 1413/4885NOS1 1279/4885

“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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