SCHEMBL20513745

SCHEMBL20513745

CN1C2CCC1CC(NC(=O)CN1CCN(c3cncc(-c4ccc(Cl)cc4)c3)CC1)C2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 8/20 0.56
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSD11B1 P28845 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ AVPR1A P37288 3/20 0.42
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ DEGS1 O15121 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ DYRK1A Q13627 1/20 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
SCHEMBL20546955 1.00 CYP11B2 (0.56) CYP11B2MEN1KMT2AHSD11B1MAPT
SCHEMBL18790962 0.71 CYP11B2 (0.45) CYP11B2GRIN2BDEGS1
SCHEMBL18790706 0.69 CYP11B2 (0.72) CYP11B2GRIN1GRIN2B
SCHEMBL18790963 0.66 DRD4 (0.57) CYP11B2DEGS1
SCHEMBL18790986 0.65 CYP11B2 (0.65) CYP11B2GRIN2BL3MBTL1DYRK1A
SCHEMBL18791082 0.64 CYP11B2 (0.68) CYP11B2MAPTL3MBTL1DYRK1A
SCHEMBL18790961 0.64 DRD4 (0.51) CYP11B2MAPTTSHR
SCHEMBL22236832 0.63 CHRNB2 (0.67) —
SCHEMBL18791006 0.63 CYP11B2 (0.42) CYP11B2MEN1KMT2AMAPTDYRK1A
SCHEMBL18566616 0.62 CYP11B2 (0.79) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3381904-B1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-07-28 — — EP claimed
EP-3381904-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2018-10-03 — — EP claimed
EP-3381904-B1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-07-28 — — EP disclosed
US-10717731-B2 Nitrogen-containing aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-07-21 — — US disclosed
US-20180312503-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-11-01 — — 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 (2 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-10717731-B2 Nitrogen-containing aromatic heterocyclic compound REN, NR3C2, NR5A1 CYP11B2 8/4885MEN1 734/4885KMT2A 3211/4885
US-20180312503-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND REN, NR3C2, NR5A1 CYP11B2 8/4885MEN1 1013/4885KMT2A 3412/4885

“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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