SCHEMBL17013239

SCHEMBL17013239

COC(=O)NCCCn1nc(C(C)NC2CC2)c2cccc(C)c21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 2/20 0.43
▸ REN P00797 10/20 0.41
▸ FAAH O00519 2/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ KDM4C Q9H3R0 1/20 0.34
▸ CASR P41180 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ ESR1 P03372 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
SCHEMBL15599827 0.88 REN (0.43) SSTR4REN
SCHEMBL17013243 0.84 HTR3A (0.41) SSTR4RENFAAHDRD2CNR1
SCHEMBL17013238 0.83 SSTR4 (0.38) SSTR4RENKDM4CCASRCYP2D6
SCHEMBL12525971 0.83 REN (0.58) RENCNR1HTR3A
SCHEMBL17013630 0.81 REN (0.58) RENCNR1
SCHEMBL16471713 0.81 REN (0.58) RENCNR1
SCHEMBL16471694 0.79 REN (0.41) SSTR4RENHTR3A
SCHEMBL17013256 0.79 REN (0.48) SSTR4REN
SCHEMBL17013249 0.79 REN (0.49) REN
SCHEMBL17013257 0.78 REN (0.40) RENCYP2D6HTR3A

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 4 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

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 SSTR4 137/4885REN 1/4885FAAH 241/4885

“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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