SCHEMBL683146

SCHEMBL683146

CCOC(=O)[C@H](CCc1ccc(Cl)cc1)N[C@@H](CCCCN)C(=O)N1C[C@H](OC)C[C@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 14/20 0.58
LMNA P02545 2/20 0.44
ABCB11 O95342 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
PDE3A Q14432 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
DPP4 P27487 1/20 0.41

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
SCHEMBL683160 0.93 ACE (0.58) ACEDPP4
SCHEMBL683526 0.90 ACE (0.61) ACELMNAABCB11MEN1KMT2A
SCHEMBL12894614 0.86 ACE (0.59) ACEDPP4
SCHEMBL683090 0.85 ACE (0.69) ACELMNAMEN1KMT2AUSP2
SCHEMBL683819 0.80 ACE (0.61) ACEDPP4
SCHEMBL7266938 0.77 ACE (0.81) ACELMNAMEN1KMT2AUSP2
SCHEMBL683537 0.77 ACE (0.81) ACELMNAMEN1KMT2AUSP2
SCHEMBL9439053 0.76 ACE (0.76) ACELMNAABCB11MEN1KMT2A
SCHEMBL11200090 0.75 ACE (0.56) ACELMNAABCB11MEN1KMT2A
SCHEMBL18579086 0.75 ACE (0.84) ACELMNASMN1; SMN2

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-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

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 4514/4885LMNA 3688/4885ABCB11 4659/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ACE 6/4885LMNA 2155/4885ABCB11 4566/4885

“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.