SCHEMBL21180050

SCHEMBL21180050

O=C(NNC(=O)c1ccccccc(N2CCOCC2)cc1)NC1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 11/20 0.60
▸ CCKAR P32238 9/20 0.60
▸ CBLB Q13191 9/20 0.59

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
SCHEMBL20867073 0.83 CBLB (0.59) CCKBRCCKARCBLB
SCHEMBL22222928 0.82 CCKBR (0.83) CCKBRCCKAR
SCHEMBL18394379 0.82 CBLB (0.57) CCKBRCCKARCBLB
SCHEMBL18394378 0.82 CBLB (0.57) CCKBRCCKARCBLB
SCHEMBL20098517 0.81 CCKAR (0.57) CCKBRCCKARCBLB
SCHEMBL3823724 0.81 CCKBR (0.71) CCKBRCCKARCBLB
SCHEMBL3823991 0.81 CCKBR (0.71) CCKBRCCKARCBLB
SCHEMBL24611894 0.81 CBLB (0.55) CCKBRCCKARCBLB
SCHEMBL20867044 0.81 CBLB (0.55) CCKBRCCKARCBLB
SCHEMBL20866888 0.81 CBLB (0.55) CCKBRCCKARCBLB

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-10358441-B2 Processes for the preparation of benzodiazepine derivatives ENANTA PHARMACEUTICALS, INC. (US) 2019-07-23 — — 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-10358441-B2 Processes for the preparation of benzodiazepine derivatives CYP11B1, CYP11B2, CYP3A5 CCKBR 528/4885CCKAR 711/4885CBLB 3282/4885

“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.

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