SCHEMBL31208855

SCHEMBL31208855

C[C@H]1[C@@H](N2CCOCC2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RECQL P46063 1/20 0.48
GPR119 Q8TDV5 1/20 0.36
OPRK1 P41145 1/20 0.36
HSD17B10 Q99714 1/20 0.36
USP30 Q70CQ3 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HPGD P15428 1/20 0.35
CCR2 P41597 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
SCHEMBL33525545 0.87 HPGD (0.43) SMN1; SMN2OPRK1HSD17B10CHRM2CHRM1
SCHEMBL33525876 0.87 HSD17B10 (0.41) SMN1; SMN2OPRK1HSD17B10CHRM2CHRM1
SCHEMBL31085807 0.84 HSD17B10 (0.36) USP2SMN1; SMN2RECQLOPRK1HSD17B10
SCHEMBL31208605 0.84 HSD17B10 (0.36) USP2SMN1; SMN2RECQLOPRK1HSD17B10
SCHEMBL31085624 0.84 HSD17B10 (0.36) USP2SMN1; SMN2RECQLOPRK1HSD17B10
SCHEMBL31085636 0.84 HSD17B10 (0.36) USP2SMN1; SMN2RECQLOPRK1HSD17B10
SCHEMBL31209211 0.81 PIK3CD (0.37) SMN1; SMN2OPRK1HSD17B10CHRM2CHRM1
SCHEMBL31209419 0.81 HRH3 (0.45) OPRK1HSD17B10CHRM2CHRM1CHRM3
SCHEMBL33525498 0.79 HSD17B10 (0.38) SMN1; SMN2OPRK1HSD17B10CHRM2CHRM1
SCHEMBL33527004 0.79 HSD17B10 (0.38) SMN1; SMN2OPRK1HSD17B10CHRM2CHRM1

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-20240368193-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2024-11-07 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-20240368193-A1 KRAS INHIBITORS KRAS, NRAS, HRAS USP2 3256/4885SMN1; SMN2 4044/4885RECQL 210/4885

“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.