SCHEMBL6230372

SCHEMBL6230372

COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2NCc2ccc3cccnc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.56
PDE4B Q07343 1/20 0.42
TACR1 P25103 2/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TLR9 Q9NR96 1/20 0.38
ADAM17 P78536 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
SCHEMBL5777363 0.93 REN (0.64) RENPDE4BTACR1KDM1AMAOA
SCHEMBL6235841 0.92 REN (0.45) RENPDE4BTACR1ADAM17
SCHEMBL6232874 0.89 REN (0.49) RENPDE4BADAM17
SCHEMBL5555749 0.89 REN (0.66) RENPDE4B
SCHEMBL5814022 0.89 REN (0.57) RENPDE4BTACR1KDM1AMAOA
SCHEMBL4601723 0.89 REN (0.66) RENPDE4B
SCHEMBL5778466 0.86 REN (0.54) RENPDE4BTACR1KDM1AMAOA
SCHEMBL5798925 0.85 REN (0.57) RENPDE4BTACR1
SCHEMBL5798922 0.85 REN (0.57) RENPDE4BTACR1
SCHEMBL6234063 0.82 REN (0.49) RENPDE4B

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
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN REN 1/4885PDE4B 214/4885TACR1 484/4885

“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.