SCHEMBL25878959

SCHEMBL25878959

Cc1cnc2n1-c1ccc(Br)cc1C(c1ccccn1)=NC2CCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA3 P34903 1/20 0.44
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
BRD4 O60885 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ADRA1A P35348 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL29893737 1.00 GABRA1 (0.44) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL2923843 1.00 GABRA1 (0.44) GABRA1GABRA5GABRA2GABRB2GABRA3
Hydrochloric Acid SCHEMBL25309438 0.99 GABRA1 (0.44) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL28516119 0.95 GABRA1 (0.43) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL25310982 0.94 GABRA1 (0.40) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL26856071 0.93 GABRA1 (0.44) GABRA1GABRA5GABRA2GABRB2GABRA3
Remimazolam SCHEMBL23735014 0.91 GABRA1 (0.42) GABRA1GABRA5GABRA2GABRB2GABRA3
Remimazolam SCHEMBL29579211 0.91 GABRA1 (0.42) GABRA1GABRA5GABRA2GABRB2GABRA3
Remimazolam SCHEMBL29379415 0.91 GABRA1 (0.42) GABRA1GABRA5GABRA2GABRB2GABRA3
Remimazolam SCHEMBL846435 0.91 GABRA1 (0.42) GABRA1GABRA5GABRA2GABRB2GABRA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708368-B2 Crystal form of ethyl (S)-3-(8-bromo-1-methyl-6-(pyridin-2-yl)-4H-benzo[f]imidazo[1,2-a][1,4]diazepin-4-yl)propanoate hydrochloride JIANGSU NHWALUOKANG PHARMACEUTICAL RESEARCH AND DEVELOPMENT CO., LTD. (CN) 2023-07-25 US disclosed
US-11708368-B2 Crystal form of ethyl (S)-3-(8-bromo-1-methyl-6-(pyridin-2-yl)-4H-benzo[f]imidazo[1,2-a][1,4]diazepin-4-yl)propanoate hydrochloride JIANGSU NHWALUOKANG PHARMACEUTICAL RESEARCH AND DEVELOPMENT CO., LTD. (CN) 2023-07-25 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-11708368-B2 Crystal form of ethyl (S)-3-(8-bromo-1-methyl-6-(pyridin-2-yl)-4H-benzo[f]imidazo[1,2-a][1,4]diazepin-4-yl)propanoate hydrochloride GABRA1, GABRA3, GABRA6 GABRA1 1/4885GABRA5 4/4885GABRA2 6/4885

“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.