SCHEMBL24966280

SCHEMBL24966280

C[C@H](c1ccccc1)n1nnc(Cl)c1C(=O)OC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.41
CHRM4 P08173 5/20 0.41
CHRM5 P08912 5/20 0.41
CHRM1 P11229 5/20 0.41
CHRM3 P20309 5/20 0.41
LMNA P02545 3/20 0.41
THRB P10828 3/20 0.41
BLM P54132 3/20 0.41
PMP22 Q01453 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
MTOR P42345 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BRD4 O60885 6/20 0.41
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL24966932 0.95 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24966822 0.89 BRD4 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24966896 0.88 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24966737 0.87 BRD4 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24966898 0.86 CYP3A4 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24966764 0.86 BRD4 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23234324 0.86 BRD4 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24966914 0.83 CYP1A2 (0.50) LMNACYP1A2CYP2C9HSD17B10TP53
SCHEMBL24966820 0.83 DRD2 (0.42) LMNACYP1A2CYP2C9CYP3A4CHRNA7
SCHEMBL24966869 0.83 PDCD1 (0.39) LMNAMEN1KMT2ACYP1A2CYP2C9

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.