SCHEMBL17013263

SCHEMBL17013263

COC(=O)NCCOc1cc(C(C)NC2CC2)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.47
PDE4B Q07343 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
KMT2A Q03164 1/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KDM1A O60341 1/20 0.41
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.39
REN P00797 3/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL17013155 0.81 KDM1A (0.44) PDE4BKDM1AALDH1A1RENCA1
SCHEMBL12524621 0.81 KDM1A (0.45) KDM1AHPGDRENCA1CA2
SCHEMBL12524631 0.81 REN (0.55) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL12526938 0.79 KDM1A (0.58) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL15599949 0.74 ADRB2 (0.37)
SCHEMBL15435832 0.73 PARP15 (0.42) REN
SCHEMBL19526994 0.73 REN (0.42) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL27528001 0.73 KDM1A (0.54) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL12524628 0.72 PARP10 (0.41) KMT2AACHE
SCHEMBL15417928 0.72 HSP90AA1 (0.39) HPGDALDH1A1REN

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 PDE4A 1975/4885PDE4B 1607/4885PDE4C 2489/4885

“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.