SCHEMBL24966898

SCHEMBL24966898

CCOC1(OCC)CC(OC(=O)c2c(Cl)nnn2[C@H](C)c2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.35
CYP1A2 P05177 3/20 0.35
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ABCB11 O95342 1/20 0.35
GABRA2 P47869 1/20 0.35
BRD4 O60885 6/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CDK9 P50750 2/20 0.32
GAA P10253 1/20 0.32
CHRM2 P08172 3/20 0.32
CHRM4 P08173 3/20 0.32
CHRM5 P08912 3/20 0.32

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
SCHEMBL24967438 0.89 CYP3A4 (0.35) CYP3A4CYP1A2GABRA1GABRB2CYP11B1
SCHEMBL24966280 0.86 CHRM2 (0.41) CYP3A4CYP1A2LMNACYP2C9BRD4
SCHEMBL24966932 0.82 CHRM2 (0.40) CYP3A4CYP1A2LMNACYP2C9BRD4
SCHEMBL24966822 0.81 BRD4 (0.45) LMNACYP2C9BRD4CHRM2CHRM4
SCHEMBL24966684 0.80 GABRA1 (0.40) CYP3A4CYP1A2GABRA1GABRB2CYP11B1
SCHEMBL24966914 0.80 CYP1A2 (0.50) CYP3A4CYP1A2GABRA1GABRB2CYP11B1
SCHEMBL24966896 0.80 CHRM2 (0.38) LMNACYP2C9BRD4CHRM2CHRM4
SCHEMBL24966107 0.79 CYP1A2 (0.39) CYP3A4CYP1A2GABRA1GABRB2CYP11B1
SCHEMBL24966283 0.76 LMNA (0.47) CYP3A4CYP1A2GABRA1GABRB2CYP11B1
SCHEMBL24966869 0.75 PDCD1 (0.39) CYP3A4CYP1A2GABRA1GABRB2CYP11B1

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 CYP3A4 8/4885CYP1A2 42/4885GABRA1 122/4885

“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.