SCHEMBL23344765

SCHEMBL23344765

COC1(C(C)(C)C)CN(C(C)=O)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL23345230 0.85 CYP4F2 (0.40) SMN1; SMN2CYP1A2TDP1CYP4F2CYP4A11
SCHEMBL23345256 0.85 SMN1; SMN2 (0.36) SMN1; SMN2KDM4E
SCHEMBL19014335 0.83 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2TDP1KDM4E
SCHEMBL23995666 0.82 CYP1A2 (0.38) SMN1; SMN2CYP1A2CYP4F2CYP4A11
SCHEMBL23344999 0.80 CYP1A2 (0.39) SMN1; SMN2CYP1A2TDP1CYP4F2CYP4A11
SCHEMBL23995691 0.80 CHRNB2 (0.43) SMN1; SMN2
SCHEMBL23345258 0.76 CYP2D6 (0.39) CYP1A2CYP4F2CYP4A11
SCHEMBL18711302 0.73 SPR (0.40) SMN1; SMN2CYP1A2CYP4F2CYP4A11
SCHEMBL23345214 0.72 SMN1; SMN2 (0.35) SMN1; SMN2CYP4F2CYP4A11
SCHEMBL16907554 0.71 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2TDP1KDM4E

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-11168102-B1 Bicyclic heteroaryl compounds and uses thereof Revolution Medicines, Inc. (US) 2021-11-09 US disclosed
US-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. 2021-05-13 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 (2 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-11168102-B1 Bicyclic heteroaryl compounds and uses thereof SOS1, SOST, SOS2 SMN1; SMN2 375/4885CYP1A2 1997/4885TDP1 2014/4885
US-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 SMN1; SMN2 432/4885CYP1A2 2086/4885TDP1 1675/4885

“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.