SCHEMBL23345258

SCHEMBL23345258

COC1(C(C)(C)C)CC2(CCN(C(C)=O)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.39
ALDH1A1 P00352 3/20 0.39
USP2 O75604 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.37
MAPK1 P28482 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CYP3A4 P08684 4/20 0.36
HIF1A Q16665 2/20 0.36
CYP2C9 P11712 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL23345256 0.87 SMN1; SMN2 (0.36) CYP2D6
SCHEMBL23345230 0.83 CYP4F2 (0.40) CYP2D6ALDH1A1USP2CYP1A2CYP2C19
SCHEMBL23344999 0.80 CYP1A2 (0.39) CYP2D6ALDH1A1USP2CYP1A2CYP2C19
SCHEMBL24597263 0.79 CYP2D6 (0.42) CYP2D6ALDH1A1USP2CYP1A2CYP2C19
SCHEMBL23995666 0.78 CYP1A2 (0.38) CYP2D6ALDH1A1USP2CYP1A2CYP2C19
SCHEMBL26832959 0.77 ALDH1A1 (0.49) CYP2D6ALDH1A1USP2CYP1A2CYP2C19
SCHEMBL23995696 0.76 CYP2D6 (0.40) CYP2D6ALDH1A1USP2CYP1A2CYP2C19
SCHEMBL23344765 0.76 SMN1; SMN2 (0.41) CYP1A2CYP4F2CYP4A11
SCHEMBL19504708 0.75 ALDH1A1 (0.41) CYP2D6ALDH1A1USP2CYP1A2CYP2C19
SCHEMBL18711285 0.74 CYP4F2 (0.47) ALDH1A1USP2CYP2C19MAPK1CYP4F2

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-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 (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-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 CYP2D6 1282/4885ALDH1A1 3594/4885USP2 2941/4885

“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.