SCHEMBL23345238

SCHEMBL23345238

CC(=O)N1CC2(CCC(O)(C(C)(C)C)CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP2C19 P33261 2/20 0.36
MAPK1 P28482 1/20 0.36
USP2 O75604 4/20 0.35
HPGD P15428 3/20 0.35
CYP3A4 P08684 5/20 0.35
HIF1A Q16665 2/20 0.35
CYP2D6 P10635 6/20 0.35
TSHR P16473 4/20 0.35
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP1A2 P05177 4/20 0.33
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
TDP1 Q9NUW8 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL23075986 0.81 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EALDH1A1CYP2C19MAPK1
SCHEMBL23995682 0.78 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1CYP2C19MAPK1
SCHEMBL23077821 0.78 CYP1A2 (0.43) SMN1; SMN2KDM4EALDH1A1CYP2C19MAPK1
SCHEMBL25810408 0.75 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EALDH1A1CYP2C19MAPK1
SCHEMBL21078057 0.74 CYP3A4 (0.47) SMN1; SMN2KDM4EALDH1A1CYP2C19MAPK1
SCHEMBL21134521 0.74 CYP3A4 (0.47) SMN1; SMN2KDM4EALDH1A1CYP2C19MAPK1
SCHEMBL23345220 0.74 CYP4F2 (0.42) SMN1; SMN2KDM4EALDH1A1CYP2C19MAPK1
SCHEMBL21287867 0.73 ALDH1A1 (0.42) SMN1; SMN2KDM4EALDH1A1CYP2C19MAPK1
SCHEMBL24279550 0.73 CYP3A4 (0.46) SMN1; SMN2KDM4EALDH1A1CYP2C19MAPK1
SCHEMBL25093263 0.72 USP2 (0.42) SMN1; SMN2KDM4EALDH1A1CYP2C19MAPK1

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 SMN1; SMN2 432/4885KDM4E 4659/4885ALDH1A1 3594/4885

“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.