SCHEMBL20474810

SCHEMBL20474810

NC(=O)N(NC(=O)c1ncc(C(F)(F)F)cc1N1CCOCC1)[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 5/20 0.44
▸ CCKBR P32239 5/20 0.44
▸ CBLB Q13191 10/20 0.44
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40

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
SCHEMBL18395704 0.91 CBLB (0.45) CCKARCCKBRCBLB
SCHEMBL22440664 0.85 CCKBR (0.49) CCKARCCKBRALDH1A1
SCHEMBL20474812 0.82 CCKBR (0.55) CCKARCCKBRCBLB
SCHEMBL20474811 0.82 CCKBR (0.55) CCKARCCKBRCBLB
SCHEMBL20580593 0.80 KDM4E (0.40) KDM4EALDH1A1HPGD
SCHEMBL20867031 0.79 CCKAR (0.50) CCKARCCKBRCBLB
SCHEMBL20867088 0.79 CCKAR (0.50) CCKARCCKBRCBLB
SCHEMBL18394376 0.78 CBLB (0.47) CCKARCCKBRCBLB
SCHEMBL20098670 0.78 CCKAR (0.51) CCKARCCKBRCBLB
SCHEMBL24611903 0.76 CBLB (0.41) CCKARCCKBRCBLBALDH1A1

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
EP-3582784-B1 PROCESSES FOR THE PREPARATION OF BENZODIAZEPINE DERIVATIVES ENANTA PHARM INC (US) 2022-06-08 — — EP disclosed
US-10906895-B2 Processes for the preparation of benzodiazepine derivatives ENANTA PHARMACEUTICALS, INC. (US) 2021-02-02 — — US disclosed
US-20190308964-A1 PROCESSES FOR THE PREPARATION OF BENZODIAZEPINE DERIVATIVES ENANTA PHARM INC (US) 2019-10-10 — — US disclosed
US-10358441-B2 Processes for the preparation of benzodiazepine derivatives ENANTA PHARMACEUTICALS, INC. (US) 2019-07-23 — — US disclosed
US-20180237425-A1 PROCESSES FOR THE PREPARATION OF BENZODIAZEPINE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2018-08-23 — — 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 (4 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-20180237425-A1 PROCESSES FOR THE PREPARATION OF BENZODIAZEPINE DERIVATIVES CYP11B1, CYP11B2, CYP3A5 CCKAR 711/4885CCKBR 528/4885CBLB 3282/4885
US-10906895-B2 Processes for the preparation of benzodiazepine derivatives CYP11B1, CYP11B2, CYP3A5 CCKAR 711/4885CCKBR 528/4885CBLB 3282/4885
US-10358441-B2 Processes for the preparation of benzodiazepine derivatives CYP11B1, CYP11B2, CYP3A5 CCKAR 711/4885CCKBR 528/4885CBLB 3282/4885
US-20190308964-A1 PROCESSES FOR THE PREPARATION OF BENZODIAZEPINE DERIVATIVES CYP11B1, CYP11B2, CYP3A5 CCKAR 711/4885CCKBR 528/4885CBLB 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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