SCHEMBL24730516

SCHEMBL24730516

CCN1CCC[C@H]1COC(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CHRM3 P20309 1/20 0.38
KMT2A Q03164 3/20 0.36
SIGMAR1 Q99720 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
DRD2 P14416 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
ATM Q13315 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL14268232 1.00 L3MBTL1 (0.45) L3MBTL1HTTALDH1A1CHRM3KMT2A
SCHEMBL22198680 0.89 L3MBTL1 (0.34) L3MBTL1HTT
SCHEMBL24712789 0.86 S1PR1 (0.36) L3MBTL1HTTDRD2
SCHEMBL19123569 0.84 L3MBTL1 (0.41) L3MBTL1HTTALDH1A1CHRM3KMT2A
SCHEMBL23023331 0.82 L3MBTL1 (0.31) L3MBTL1CHRM3
SCHEMBL27113500 0.81 L3MBTL1 (0.39) L3MBTL1HTTALDH1A1CHRM3KMT2A
SCHEMBL26512146 0.81 SPHK2 (0.34) L3MBTL1HTTCHRM3
SCHEMBL22063588 0.81 CHRM3 (0.34) L3MBTL1CHRM3KMT2AMEN1
SCHEMBL26512063 0.81 DRD2 (0.37) HTTDRD2
SCHEMBL24359069 0.80 CRHR1 (0.30) L3MBTL1

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-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof 280 Bio, Inc (US) 2023-08-03 US disclosed
WO-2022247770-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海璎黎药业有限公司 2022-12-01 WO 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-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof NRAS, KRAS, RAB8A L3MBTL1 4051/4885HTT 1060/4885ALDH1A1 2748/4885

“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.