SCHEMBL16471632

SCHEMBL16471632

CC(c1cc(CO)c2ccccc2c1)N(C(=O)OC(C)(C)C)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 13/20 0.46
▸ EDNRA P25101 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ KDM2B Q8NHM5 3/20 0.34
▸ BACE1 P56817 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
SCHEMBL12525513 0.87 REN (0.45) RENEDNRABACE1
SCHEMBL15418020 0.85 REN (0.59) REN
SCHEMBL12525514 0.82 REN (0.46) RENKDM2BBACE1
SCHEMBL15418220 0.79 REN (0.56) REN
SCHEMBL12525520 0.79 REN (0.65) REN
SCHEMBL12526565 0.75 REN (0.35) REN
SCHEMBL9884409 0.73 ACHE (0.35) RENCTSSCTSK
SCHEMBL9884410 0.72 ALOX5 (0.42) —
SCHEMBL15599841 0.72 CCR5 (0.38) RENEDNRACTSSCTSKBACE1
SCHEMBL15435674 0.71 REN (0.32) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 — — 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-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 — — 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 (3 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 1/4885EDNRA 44/4885CTSS 779/4885
US-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE REN 1/4885EDNRA 54/4885CTSS 102/4885
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 REN 1/4885EDNRA 44/4885CTSS 779/4885

“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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