SCHEMBL6232874

SCHEMBL6232874

COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2NC(=O)c2ccc3cccnc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.49
MMP12 P39900 2/20 0.42
ADAM17 P78536 1/20 0.42
PDE4B Q07343 1/20 0.42
CHRNA7 P36544 2/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
MMP13 P45452 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
SCHEMBL6230372 0.89 REN (0.56) RENADAM17PDE4B
SCHEMBL6719854 0.85 REN (0.53) RENMMP12ADAM17PDE4B
SCHEMBL4601723 0.85 REN (0.66) RENPDE4B
SCHEMBL5555749 0.85 REN (0.66) RENPDE4B
SCHEMBL6254684 0.84 REN (0.46) RENMMP12ADAM17PDE4B
SCHEMBL5777363 0.82 REN (0.64) RENPDE4B
SCHEMBL6234063 0.82 REN (0.49) RENPDE4B
SCHEMBL5814022 0.81 REN (0.57) RENPDE4B
SCHEMBL5813343 0.80 REN (0.47) RENPDE4B
SCHEMBL6235841 0.80 REN (0.45) RENADAM17PDE4B

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 1/4885MMP12 526/4885ADAM17 547/4885

“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.