SCHEMBL20514041

SCHEMBL20514041

CO[C@H]1CC[C@H](NC(=O)CN2CCN(c3cncc(-c4ccc5cnn(C)c5c4)n3)CC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 16/20 0.68
▸ GSK3B P49841 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ WNT1 P04628 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL18790696 0.81 CYP11B2 (0.61) CYP11B2GSK3BDYRK1ALRRK2
SCHEMBL18790689 0.81 CYP11B2 (0.44) CYP11B2DYRK1ALRRK2
SCHEMBL18790685 0.81 PIM2 (0.48) CYP11B2DYRK1ALRRK2
SCHEMBL18790687 0.79 CYP11B2 (0.49) CYP11B2GSK3BDYRK1ALRRK2
SCHEMBL20514040 0.79 CYP11B2 (0.43) CYP11B2GSK3BDYRK1AWNT1
SCHEMBL22236835 0.73 CYP11B2 (0.74) CYP11B2
SCHEMBL22236836 0.73 CYP11B2 (0.58) CYP11B2ALDH1A1
SCHEMBL18790686 0.70 PIM2 (0.57) ALDH1A1
SCHEMBL20514060 0.70 PIM2 (0.42) CYP11B2GSK3BDYRK1A
SCHEMBL22236779 0.68 SIGMAR1 (0.63) CYP11B2ALDH1A1

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 8 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
US-10717731-B2 Nitrogen-containing aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-07-21 — — US claimed
US-20180312503-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-11-01 — — US 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
EP-3381904-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2018-10-03 — — 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 (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 8/4885GSK3B 2920/4885DYRK1A 4772/4885
US-20180312503-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND REN, NR3C2, NR5A1 CYP11B2 8/4885GSK3B 2778/4885DYRK1A 4753/4885

“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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