SCHEMBL6720008

SCHEMBL6720008

COC(=O)CN1C(=O)CCc2cc[c]cc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 4/20 0.40
POLB P06746 4/20 0.40
TP53 P04637 3/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL6714706 0.90 LMNA (0.43) LMNAALDH1A1MAPTPOLBTP53
SCHEMBL6234100 0.88 NOTUM (0.40) ALDH1A1MAPTTP53MAPK8MAPK9
SCHEMBL6712019 0.87 LMNA (0.47) LMNAALDH1A1POLBKMT2AMEN1
SCHEMBL5801112 0.82 MAPT (0.38) LMNAALDH1A1MAPTPOLBTP53
SCHEMBL5641249 0.81 MAPT (0.58) LMNAALDH1A1MAPTPOLBTP53
SCHEMBL4803576 0.78 NOTUM (0.45) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL6233572 0.78 ALDH1A1 (0.38) ALDH1A1MAPTPOLBTP53
SCHEMBL6238530 0.78 NOTUM (0.40) MAPTTP53MAPK8MAPK9MAPK10
SCHEMBL6231492 0.78 MEN1 (0.44) MAPTPOLBTP53THRBKMT2A
SCHEMBL16588044 0.77 MAPT (0.53) LMNAALDH1A1MAPTPOLBTP53

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-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US claimed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 US claimed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US 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 (2 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 LMNA 1866/4885ALDH1A1 921/4885MAPT 1330/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 LMNA 2783/4885ALDH1A1 1486/4885MAPT 3937/4885

“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.