SCHEMBL19006602

SCHEMBL19006602

COC(=O)C(C)CC1N=C(c2ccccn2)c2cc(Br)ccc2-n2c(C)cnc21

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRB2 P47870 1/20 0.41
BRD4 O60885 3/20 0.37
HDAC6 Q9UBN7 4/20 0.33
HDAC1 Q13547 2/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 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
SCHEMBL19006537 1.00 GABRA3 (0.41) GABRA3GABRA2GABRA1GABRA5GABRB2
SCHEMBL5769443 0.91 GABRA1 (0.43) GABRA3GABRA2GABRA1GABRA5GABRB2
SCHEMBL20473301 0.90 BRD4 (0.41) BRD4HDAC6HDAC1
SCHEMBL19006556 0.90 BRD4 (0.41) BRD4HDAC6HDAC1
SCHEMBL20473330 0.90 BRD4 (0.41) BRD4HDAC6HDAC1
SCHEMBL22853709 0.87 GABRA1 (0.39) GABRA3GABRA2GABRA1GABRA5GABRB2
SCHEMBL26146535 0.86 GABRA1 (0.39) GABRA3GABRA2GABRA1GABRA5GABRB2
SCHEMBL26146551 0.85 GABRA1 (0.40) GABRA3GABRA2GABRA1GABRA5GABRB2
SCHEMBL21674324 0.85 GABRA1 (0.41) GABRA3GABRA2GABRA1GABRA5GABRB2
Remimazolam SCHEMBL23735014 0.85 GABRA1 (0.42) GABRA3GABRA2GABRA1GABRA5GABRB2

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 5 patents. 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 claimed
EP-3363801-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2018-08-22 EP claimed
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
EP-3363801-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2018-08-22 EP disclosed
WO-2017101808-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-06-22 WO 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 GABRA3 7/4885GABRA2 5/4885GABRA1 2/4885

“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.