SCHEMBL16471682

SCHEMBL16471682

COCCCn1nc(C(C)NC2CC2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.49
HTR4 Q13639 9/20 0.44
CYP3A4 P08684 2/20 0.40
HTR3A P46098 3/20 0.40
KCNH2 Q12809 2/20 0.39
CYP2D6 P10635 2/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 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
SCHEMBL12526716 0.97 REN (0.49) RENHTR4CYP3A4HTR3AKCNH2
SCHEMBL19526726 0.91 REN (0.42) RENHTR4CYP3A4HTR3AKCNH2
SCHEMBL16471686 0.83 REN (0.51) RENHTR4HTR3ACNR1CNR2
SCHEMBL15599677 0.83 REN (0.38) RENHTR4
SCHEMBL17013219 0.82 REN (0.38) RENHTR4HTR3A
SCHEMBL17013245 0.82 HTR3A (0.38) RENHTR3A
SCHEMBL17013217 0.81 REN (0.39) RENHTR4CYP3A4CYP2D6
SCHEMBL17013238 0.81 SSTR4 (0.38) RENHTR4CYP3A4KCNH2CYP2D6
SCHEMBL17013248 0.80 REN (0.36) RENHTR4CYP3A4HTR3AKCNH2
SCHEMBL17013244 0.80 HTR3A (0.38) RENHTR4HTR3ACYP2D6CNR1

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 10 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-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 1/4885HTR4 1979/4885CYP3A4 604/4885
US-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE REN 1/4885HTR4 2955/4885CYP3A4 870/4885
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 REN 1/4885HTR4 1979/4885CYP3A4 604/4885

“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.