SCHEMBL5364563

SCHEMBL5364563

C[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.55
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
ELANE P08246 1/20 0.41
BTK Q06187 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
SCHEMBL5716228 1.00 ACE (0.55) ACEKMT2AMEN1USP2LMNA
SCHEMBL10747717 1.00 ACE (0.55) ACEKMT2AMEN1USP2LMNA
SCHEMBL5716232 1.00 ACE (0.55) ACEKMT2AMEN1USP2LMNA
SCHEMBL9775310 0.98 ACE (0.53) ACEKMT2AMEN1USP2LMNA
SCHEMBL4404273 0.85 ACE (0.53) ACEKMT2AMEN1USP2LMNA
SCHEMBL9256682 0.82 CTSL (0.54) ACEKMT2AMEN1USP2LMNA
SCHEMBL27605644 0.81 ACE (0.39) ACEKMT2AMEN1USP2LMNA
SCHEMBL9592654 0.80 CTSL (0.54) ACEKMT2AMEN1USP2LMNA
SCHEMBL9773233 0.80 CTSL (0.54) ACEKMT2AMEN1USP2LMNA
SCHEMBL8337646 0.79 CHRM2 (0.45) ACEKMT2AMEN1USP2LMNA

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-7288661-B2 Process for the synthesis of (2S,3aS,7aS)-1-[(S)-alanyl]-octahydro-1H-indole-2-carboxylic acid compounds and application in the synthesis of perindopril LES LABORATOIRES SERVIER (FR) 2007-10-30 US disclosed
US-20070123581-A1 Process for the synthesis of (2s, 3as, 7as)-1-[(s)-alanyl]-octahydro-1h-indole-2-carboxylic acid compounds and application in the synthesis of perindopril LES LABORATOIRES SERVIER (FR) 2007-05-31 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-20070123581-A1 Process for the synthesis of (2s, 3as, 7as)-1-[(s)-alanyl]-octahydro-1h-indole-2-carboxylic acid compounds and application in the synthesis of perindopril CYP2S1, TPH1, AGTR1 ACE 10/4885KMT2A 2054/4885MEN1 3778/4885

“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.