SCHEMBL23345000

SCHEMBL23345000

COCC(=O)N1CCC(OC)(C(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
CYP1A2 P05177 4/20 0.47
CYP2D6 P10635 11/20 0.45
CYP3A4 P08684 7/20 0.45
CYP2C9 P11712 4/20 0.45
TSHR P16473 4/20 0.45
USP2 O75604 5/20 0.44
CYP2C19 P33261 5/20 0.43
MAPK1 P28482 2/20 0.43
HIF1A Q16665 2/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 4/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL23995664 0.88 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL25093262 0.81 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL23344999 0.79 CYP1A2 (0.39) ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL24341884 0.77 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL23345012 0.77 CYP2C9 (0.46) ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL277929 0.77 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL25810288 0.77 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL14010813 0.75
SCHEMBL8402970 0.75 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL13722312 0.75 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2D6CYP3A4CYP2C9

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 ALDH1A1 3199/4885CYP1A2 1997/4885CYP2D6 1512/4885
US-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 ALDH1A1 3594/4885CYP1A2 2086/4885CYP2D6 1282/4885

“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.