SCHEMBL12525971

SCHEMBL12525971

COC(=O)NCCCn1nc(C(C)NC2CC2)c2cccnc21

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 10/20 0.58
▸ HTR3A P46098 5/20 0.40
▸ CNR2 P34972 3/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ ELANE P08246 1/20 0.36
▸ PDPK1 O15530 1/20 0.35
▸ CCNB2 O95067 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ LYN P07948 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35

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
SCHEMBL16471713 0.85 REN (0.58) RENCNR2CNR1
SCHEMBL17013630 0.85 REN (0.58) RENCNR2CNR1
SCHEMBL17013256 0.84 REN (0.48) REN
SCHEMBL17013249 0.84 REN (0.49) REN
SCHEMBL16471686 0.83 REN (0.51) RENHTR3ACNR2CNR1
SCHEMBL12523995 0.83 REN (0.41) RENHTR3ACNR2CNR1GSK3B
SCHEMBL17013239 0.83 SSTR4 (0.43) RENHTR3ACNR1
SCHEMBL15599827 0.83 REN (0.43) REN
SCHEMBL17013246 0.82 REN (0.48) REN
SCHEMBL17013349 0.81 REN (0.58) RENHTR3ACNR2CNR1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2933248-B1 NOVEL RENIN INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2018-01-31 — — EP disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 — — US disclosed
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-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-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 — — 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
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 1/4885HTR3A 2298/4885CNR2 185/4885
US-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE REN 1/4885HTR3A 3255/4885CNR2 321/4885
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 REN 1/4885HTR3A 2298/4885CNR2 185/4885

“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.

Send feedback