SCHEMBL24967437

SCHEMBL24967437

CC(C)O[C@H]1C[C@@H](OC(=O)c2c(F)nnn2[C@H](C)c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.39
CHRM4 P08173 6/20 0.39
CHRM5 P08912 6/20 0.39
CHRM1 P11229 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
BRD4 O60885 5/20 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
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PABPC1 P11940 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
SCHEMBL24966741 0.90 BRD4 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24966896 0.88 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24966737 0.88 BRD4 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24966834 0.85 CYP2D6 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24966122 0.84 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24966680 0.81 BRD4 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24966734 0.80 PDCD1 (0.40) BRD4LMNACYP2C9SMN1; SMN2TDP1
SCHEMBL24966822 0.78 BRD4 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24966779 0.77 ALDH1A1 (0.42) BRD4LMNACYP2D6HSD17B10TDP1
SCHEMBL23234260 0.77 ALDH1A1 (0.42) BRD4LMNACYP2D6HSD17B10TDP1

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 CHRM2 1266/4885CHRM4 1610/4885CHRM5 1634/4885

“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.