SCHEMBL18508519

SCHEMBL18508519

CCOC(=O)CO[C@H]1CC[C@H](NC(=O)CN2CCN(c3nncc(-c4ccc(C(F)(F)F)cc4)n3)CC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 20/20 0.70

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
SCHEMBL18566723 1.00 CYP11B2 (0.70) CYP11B2
SCHEMBL18502894 0.92 CYP11B2 (0.74) CYP11B2
SCHEMBL18489925 0.91 CYP11B2 (0.84) CYP11B2
SCHEMBL18489926 0.91 CYP11B2 (0.84) CYP11B2
SCHEMBL18508518 0.91 CYP11B2 (0.71) CYP11B2
SCHEMBL18489977 0.90 CYP11B2 (0.71) CYP11B2
SCHEMBL18489978 0.90 CYP11B2 (0.71) CYP11B2
SCHEMBL18502893 0.84 CYP11B2 (0.76) CYP11B2
SCHEMBL17207663 0.84 CYP11B2 (0.73) CYP11B2
SCHEMBL18502892 0.83 CYP11B2 (0.74) CYP11B2

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-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — 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-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 CYP11B2 17/4885

“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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