SCHEMBL24966680

SCHEMBL24966680

CC(C)O[C@H]1C[C@@H](OC(=O)c2cnnn2[C@H](C)c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.41
CHRM2 P08172 3/20 0.39
CHRM4 P08173 3/20 0.39
CHRM5 P08912 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
CHRNA7 P36544 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
MAPK1 P28482 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
BRDT Q58F21 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36

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
SCHEMBL24966116 0.90 BRD4 (0.51) BRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL24966995 0.87 BRD4 (0.47) BRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL24966117 0.85 BRD4 (0.43) BRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL23234266 0.83 CHRM2 (0.40) BRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL24967437 0.81 CHRM2 (0.39) BRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL24966998 0.80 BRD4 (0.44) BRD4MAPK1CYP1A2CYP3A4GABRA1
SCHEMBL24966684 0.79 GABRA1 (0.40) BRD4MAPK1BRD2BRD3BRDT
SCHEMBL24966122 0.78 CHRM2 (0.38) BRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL23234121 0.76 ALDH1A1 (0.56) BRD4MAPK1BRD2BRD3BRDT
SCHEMBL24966167 0.76 ALDH1A1 (0.56) BRD4MAPK1BRD2BRD3BRDT

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-20230026724-A1 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUND AND ANESTHETIC EFFECT THEREOF CHENGDU MFS PHARMA. CO., LTD. (CN) 2023-01-26 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-20230026724-A1 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUND AND ANESTHETIC EFFECT THEREOF CYP21A2, CYP11B1, CYP11B2 BRD4 2260/4885CHRM2 1266/4885CHRM4 1610/4885

“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.