SCHEMBL20547130

SCHEMBL20547130

CN(C)C1CCC(C(C(N)=O)N2CCN(c3cc(-c4ccc(F)cc4)cnn3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 12/20 0.43
▸ CYP11B1 P15538 6/20 0.37
▸ GRIN2B Q13224 1/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ CYP46A1 Q9Y6A2 1/20 0.34
▸ GLS O94925 2/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ BRAF P15056 1/20 0.33

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
SCHEMBL18489972 0.83 CYP11B2 (0.63) CYP11B2
SCHEMBL20513563 0.76 CYP11B2 (0.71) CYP11B2CYP11B1
SCHEMBL20513565 0.76 CYP11B2 (0.71) CYP11B2CYP11B1
SCHEMBL18489908 0.74 CYP11B2 (0.63) CYP11B2
SCHEMBL18791026 0.71 GAA (0.53) CYP11B2CYP11B1
SCHEMBL18489960 0.70 CYP11B2 (0.60) CYP11B2
SCHEMBL20538775 0.69 CYP11B2 (0.49) CYP11B2
SCHEMBL18791027 0.69 CYP11B2 (0.48) CYP11B2CYP11B1
SCHEMBL18791093 0.66 CYP11B2 (0.66) CYP11B2CYP11B1GRIN2B
SCHEMBL18489930 0.60 CYP11B2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180312503-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-11-01 — — US claimed
EP-3381904-B1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-07-28 — — 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-20180312503-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND REN, NR3C2, NR5A1 CYP11B2 8/4885CYP11B1 6/4885GRIN2B 2453/4885

“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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