SCHEMBL20545137

SCHEMBL20545137

COC(=O)C[C@H](C)[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2-n2c(C)cnc21

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.42
CYP1A2 P05177 1/20 0.40
BRD4 O60885 5/20 0.39
BRD2 P25440 2/20 0.39
BRD3 Q15059 1/20 0.39
AVPR1A P37288 1/20 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
SCHEMBL19006552 1.00 CHRM1 (0.42) CHRM1CYP1A2BRD4BRD2BRD3
SCHEMBL20473291 1.00 CHRM1 (0.42) CHRM1CYP1A2BRD4BRD2BRD3
SCHEMBL19006662 0.90 GABRA1 (0.42) BRD4
SCHEMBL19006536 0.90 GABRA1 (0.42) BRD4
SCHEMBL13862666 0.84 BRD4 (0.42) BRD4
SCHEMBL20473330 0.83 BRD4 (0.41) CHRM1CYP1A2BRD4BRD2BRD3
SCHEMBL19006556 0.83 BRD4 (0.41) CHRM1CYP1A2BRD4BRD2BRD3
SCHEMBL20473301 0.83 BRD4 (0.41) CHRM1CYP1A2BRD4BRD2BRD3
SCHEMBL5772396 0.81 GABRA1 (0.43) CHRM1CYP1A2
SCHEMBL20473297 0.78 BRD4 (0.41) CYP1A2BRD4BRD2BRD3

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-20180312511-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2018-11-01 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-20180312511-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF GABRA5, GABRA1, GABRA6 CHRM1 821/4885CYP1A2 119/4885BRD4 2449/4885

“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.