SCHEMBL16471543

SCHEMBL16471543

COc1cc([C@H](C)N(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C2CC2)nc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 8/20 0.65
▸ EPHA2 P29317 4/20 0.39
▸ ERBB2 P04626 1/20 0.38
▸ EPHB4 P54760 1/20 0.38
▸ USP30 Q70CQ3 3/20 0.38
▸ PIK3CD O00329 2/20 0.37
▸ PIK3CA P42336 2/20 0.37
▸ PIK3CB P42338 2/20 0.37
▸ PIK3CG P48736 2/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ PDE4B Q07343 1/20 0.37

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
SCHEMBL16471542 0.86 REN (0.64) REN
SCHEMBL16360453 0.82 REN (0.44) RENUSP30
SCHEMBL16471569 0.82 REN (0.44) RENUSP30
SCHEMBL16471531 0.82 REN (0.51) RENPDE4B
SCHEMBL12526906 0.80 REN (0.68) REN
SCHEMBL16360452 0.80 REN (0.68) REN
SCHEMBL15435701 0.79 REN (0.55) REN
SCHEMBL12526529 0.79 REN (0.59) RENUSP30
SCHEMBL16471538 0.79 REN (0.51) RENPDE4B
SCHEMBL16478458 0.79 REN (1.00) REN

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-05-26 — — US disclosed
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-05-26 — — US disclosed
US-9278944-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-03-08 — — US disclosed
US-9278944-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-03-08 — — US disclosed
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2014-01-09 — — US disclosed
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2014-01-09 — — 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-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 REN 1/4885EPHA2 4490/4885ERBB2 1496/4885
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 REN 1/4885EPHA2 4490/4885ERBB2 1496/4885

“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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