SCHEMBL17013635

SCHEMBL17013635

C[C@H](c1c[nH]c(C2CCCCC2)n1)N(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 8/20 0.35
▸ TRPV3 Q8NET8 2/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ HPGDS O60760 2/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ GPR119 Q8TDV5 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CRHR2 Q13324 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
SCHEMBL17005410 0.88 REN (0.38) REN
SCHEMBL17012916 0.85 REN (0.36) RENTRPV3USP30PIK3CDGPR119
SCHEMBL17012918 0.81 REN (0.40) REN
SCHEMBL17013634 0.77 REN (0.45) REN
SCHEMBL16471541 0.74 REN (0.48) REN
SCHEMBL12526684 0.74 REN (0.59) RENGPR119
SCHEMBL16471543 0.74 REN (0.65) RENPDE4BUSP30PIK3CDGPR119
SCHEMBL12526529 0.74 REN (0.59) RENUSP30MAPTALDH1A1
SCHEMBL17005470 0.74 REN (0.40) REN
SCHEMBL15435779 0.73 REN (0.41) RENUSP30

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 2 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-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 REN 1/4885TRPV3 2749/4885PDE4B 1607/4885

“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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