SCHEMBL30202043

SCHEMBL30202043

NN=C1CN=C(c2c(F)cccc2F)c2c(ccc(Br)c2Cl)N1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
CHRM1 P11229 1/20 0.32
LMNA P02545 1/20 0.32
HTR5A P47898 1/20 0.31

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
SCHEMBL30201971 0.89 CHRM1 (0.42) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL30201963 0.88 HTR5A (0.35) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL30202021 0.86 CHRM1 (0.32) CHRM1LMNAHTR5A
SCHEMBL30202074 0.83 HTR5A (0.37) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL23881540 0.82 GABRA1 (0.49) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL30202084 0.82 CHRM1 (0.49) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL23881519 0.82 CHRM1 (0.49) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL30133111 0.82 GABRA1 (0.49) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL23927165 0.77 CHRM1 (0.46) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL23927144 0.77 GABRA1 (0.51) GABRA1GABRA5GABRA3GABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139310-B1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN LA ROCHE (CH) 2024-03-27 EP disclosed
US-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
EP-4139310-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2023-03-01 EP 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-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM GABRA1, GABRB1, GABRB3 GABRA1 1/4885GABRA5 9/4885GABRA3 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.