SCHEMBL12523937

SCHEMBL12523937

COC(=O)NCCCn1cc(C(C)N(C(=O)OC(C)(C)C)C2CC2)c2cccnc21

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 17/20 0.68
▸ PDPK1 O15530 1/20 0.49
▸ CCNB2 O95067 1/20 0.49
▸ PRKCB P05771 1/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ LYN P07948 1/20 0.49
▸ CCNB1 P14635 1/20 0.49
▸ CCNA2 P20248 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ GSK3B P49841 1/20 0.49
▸ RPS6KA3 P51812 1/20 0.49
▸ CCNA1 P78396 1/20 0.49
▸ CCNB3 Q8WWL7 1/20 0.49
▸ CNR1 P21554 2/20 0.41
▸ CNR2 P34972 2/20 0.41

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
SCHEMBL16471667 0.91 REN (0.57) RENPDPK1CCNB2PRKCBCDK1
SCHEMBL12523942 0.88 REN (0.54) RENPRKCBGSK3BCNR1CNR2
SCHEMBL12523944 0.84 REN (0.72) REN
SCHEMBL12523938 0.81 REN (1.00) REN
SCHEMBL16478404 0.81 REN (1.00) REN
SCHEMBL15435739 0.81 REN (1.00) REN
SCHEMBL16360675 0.81 REN (1.00) REN
SCHEMBL15417955 0.79 REN (0.76) REN
SCHEMBL17013098 0.79 REN (0.75) REN
SCHEMBL12526722 0.79 REN (0.58) RENPDPK1CCNB2PRKCBCDK1

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
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
EP-2933248-A1 NOVEL RENIN INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2015-10-21 — — EP disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 — — US disclosed
EP-2687518-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2014-01-22 — — EP disclosed
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2014-01-09 — — US disclosed
WO-2012124775-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 (JP) 2012-09-20 — — WO 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 1/4885PDPK1 4485/4885CCNB2 369/4885
US-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE REN 1/4885PDPK1 3193/4885CCNB2 1072/4885
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 REN 1/4885PDPK1 4485/4885CCNB2 369/4885

“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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