SCHEMBL24966822

SCHEMBL24966822

CO[C@H]1C[C@@H](OC(=O)c2c(Cl)nnn2[C@H](C)c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.45
CHRM2 P08172 7/20 0.39
CHRM1 P11229 7/20 0.39
CHRM4 P08173 6/20 0.39
CHRM5 P08912 6/20 0.39
CHRM3 P20309 6/20 0.39
CHRNA7 P36544 3/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
PABPC1 P11940 1/20 0.37
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.34
BLM P54132 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
SCHEMBL24966896 0.90 CHRM2 (0.38) BRD4CHRM2CHRM1CHRM4CHRM5
SCHEMBL24966280 0.89 CHRM2 (0.41) BRD4CHRM2CHRM1CHRM4CHRM5
SCHEMBL24966741 0.88 BRD4 (0.46) BRD4CHRM2CHRM1CHRM4CHRM5
SCHEMBL24966099 0.87 BRD4 (0.45) BRD4CHRM2CHRM1CHRM4CHRM5
SCHEMBL24966932 0.87 CHRM2 (0.40) BRD4CHRM2CHRM1CHRM4CHRM5
SCHEMBL24966186 0.83 BRD4 (0.45) BRD4CHRM2CHRM1CHRM4CHRM5
SCHEMBL24966898 0.81 CYP3A4 (0.35) BRD4CHRM2CHRM1CHRM4CHRM5
SCHEMBL24966869 0.79 PDCD1 (0.39) BRD4LMNACYP2C9MAPK1SMN1; SMN2
SCHEMBL24966114 0.78 BRD4 (0.45) BRD4CHRM2CHRM1CHRM4CHRM5
SCHEMBL24966901 0.77 ALDH1A1 (0.42) BRD4LMNACYP2D6HSD17B10MAPK1

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 1266/4885CHRM1 974/4885

“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.