SCHEMBL15599677

SCHEMBL15599677

COCCCCn1nc(C(C)NC2CC2)c2ccc(C)cc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.38
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR4 Q13639 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL17013219 0.89 REN (0.38) RENCHRM2CHRM1CHRM3HTR4
SCHEMBL17013245 0.89 HTR3A (0.38) RENCHRM2CHRM1
SCHEMBL17189068 0.87 TLR8 (0.36) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL12526716 0.86 REN (0.49) RENHTR4
SCHEMBL17013220 0.83 REN (0.41) RENKDM4EALDH1A1HPGDHTR4
SCHEMBL16471682 0.83 REN (0.49) RENHTR4
SCHEMBL17013241 0.82 REN (0.34) RENTDP1
SCHEMBL17013238 0.79 SSTR4 (0.38) RENHTR4TDP1
SCHEMBL16471686 0.79 REN (0.51) RENHTR4
SCHEMBL12523918 0.78 REN (0.54) 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-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 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
WO-2014042263-A1 NOVEL RENIN INHIBITOR 田辺三菱製薬株式会社 (JP) 2014-03-20 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 (1 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-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE REN 1/4885KDM4E 1425/4885ALDH1A1 2192/4885

“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.