SCHEMBL683131

SCHEMBL683131

CCOC(=O)[C@H](Cc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.84
MEN1 O00255 2/20 0.84
KMT2A Q03164 2/20 0.84
CYP3A4 P08684 1/20 0.84
ALOX15 P16050 1/20 0.84
LMNA P02545 2/20 0.81
USP2 O75604 1/20 0.81
SMN1; SMN2 Q16637 1/20 0.52
ABCB11 O95342 1/20 0.50

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
SCHEMBL9438986 0.98 ACE (0.84) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9438975 0.98 ACE (0.84) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9438982 0.98 ACE (0.84) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL683212 0.98 ACE (0.84) ACEMEN1KMT2ACYP3A4ALOX15
Ramipril SCHEMBL9175613 0.92 ACE (1.00) ACEMEN1KMT2ACYP3A4ALOX15
Ramipril SCHEMBL7912384 0.92 ACE (1.00) ACEMEN1KMT2ACYP3A4ALOX15
Ramipril SCHEMBL9327932 0.92 ACE (1.00) ACEMEN1KMT2ACYP3A4ALOX15
Ramipril SCHEMBL16059 0.92 ACE (1.00) ACEMEN1KMT2ACYP3A4ALOX15
Ramipril SCHEMBL8082369 0.92 ACE (1.00) ACEMEN1KMT2ACYP3A4ALOX15
Ramipril SCHEMBL678408 0.92 ACE (1.00) ACEMEN1KMT2ACYP3A4ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 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-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 ACE 4514/4885MEN1 3647/4885KMT2A 2044/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ACE 6/4885MEN1 1910/4885KMT2A 1893/4885

“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.