SCHEMBL5039181

SCHEMBL5039181

Cn1nc2c(c1Br)CCCN2c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.30
ACHE P22303 2/20 0.30
GRIN1 Q05586 2/20 0.30
GRIN2A Q12879 2/20 0.30

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
SCHEMBL5043792 0.87 RXRA (0.30)
SCHEMBL5039224 0.83 CRHR1 (0.37)
SCHEMBL5039332 0.82 PKM (0.33)
SCHEMBL5039210 0.80 PTGS2 (0.37)
SCHEMBL14031301 0.78 BCHE (0.33) BCHEACHE
SCHEMBL5048509 0.78 CRHR1 (0.33) BCHEACHE
SCHEMBL14031217 0.74 L3MBTL1 (0.42)
SCHEMBL14031211 0.73 PKM (0.33)
SCHEMBL14031208 0.73 CRHR1 (0.33)
SCHEMBL5046718 0.72 RXRA (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
US-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2005-09-08 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-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators GABRA2, GABRA1, GABRA5 BCHE 1194/4885ACHE 1550/4885GRIN1 123/4885

“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.