SCHEMBL683951

SCHEMBL683951

COC(=O)C(CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.91

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 15/20 0.91
PDE3A Q14432 1/20 0.76
ABCB11 O95342 1/20 0.60
AGTR2 P50052 2/20 0.52
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL683585 0.95 ACE (1.00) ACEPDE3AABCB11AGTR2LMNA
SCHEMBL683270 0.95 ACE (0.88) ACEPDE3AABCB11AGTR2
SCHEMBL683424 0.91 ACE (0.90) ACEPDE3AABCB11AGTR2LMNA
SCHEMBL683596 0.91 ACE (0.79) ACEPDE3AABCB11AGTR2LMNA
SCHEMBL682458 0.91 ACE (0.75) ACEPDE3AABCB11LMNASMN1; SMN2
SCHEMBL16364867 0.89 ACE (0.93) ACEPDE3AABCB11LMNASMN1; SMN2
Moexipril SCHEMBL34030 0.86 ACE (1.00) ACEPDE3AABCB11AGTR2LMNA
Moexipril SCHEMBL6508276 0.86 ACE (1.00) ACEPDE3AABCB11AGTR2LMNA
Moexipril SCHEMBL22175779 0.86 ACE (1.00) ACEPDE3AABCB11AGTR2LMNA
Moexipril SCHEMBL678818 0.86 ACE (1.00) ACEPDE3AABCB11AGTR2LMNA

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 4514/4885PDE3A 203/4885ABCB11 4659/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ACE 6/4885PDE3A 413/4885ABCB11 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.