SCHEMBL23345229

SCHEMBL23345229

CC(=O)N1CCC(OC2CC2)(C(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 3/20 0.32
LOXL2 Q9Y4K0 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 1/20 0.30
CYP2C9 P11712 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
SCHEMBL23345010 0.90 EPHX2 (0.36) CYP4F2CYP4A11SMN1; SMN2EPHX2ALDH1A1
SCHEMBL23345230 0.80 CYP4F2 (0.40) CYP4F2CYP4A11SMN1; SMN2ALDH1A1MAPK1
SCHEMBL23344999 0.73 CYP1A2 (0.39) CYP4F2CYP4A11SMN1; SMN2EPHX2ALDH1A1
SCHEMBL21997013 0.73 NR1H2 (0.34)
SCHEMBL21997014 0.73 NR1H2 (0.34)
SCHEMBL24597128 0.71 EPHX2 (0.42) SMN1; SMN2EPHX2ALDH1A1MAPK1CYP2C19
SCHEMBL23995666 0.71 CYP1A2 (0.38) CYP4F2CYP4A11SMN1; SMN2ALDH1A1CYP2C19
SCHEMBL23345258 0.69 CYP2D6 (0.39) CYP4F2CYP4A11ALDH1A1MAPK1CYP2C19
SCHEMBL23344765 0.69 SMN1; SMN2 (0.41) CYP4F2CYP4A11SMN1; SMN2
SCHEMBL23345220 0.67 CYP4F2 (0.42) CYP4F2CYP4A11SMN1; SMN2ALDH1A1MAPK1

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 CYP4F2 586/4885CYP4A11 305/4885SMN1; SMN2 375/4885
US-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 CYP4F2 951/4885CYP4A11 696/4885SMN1; SMN2 432/4885

“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.