SCHEMBL682458

SCHEMBL682458

COC(=O)C(CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 16/20 0.75
ABCB11 O95342 1/20 0.73
PDE3A Q14432 1/20 0.61
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4057734 0.94 ACE (0.83) ACEABCB11PDE3ALMNASMN1; SMN2
SCHEMBL682457 0.94 ACE (0.83) ACEABCB11PDE3ALMNASMN1; SMN2
SCHEMBL5981613 0.94 ACE (0.83) ACEABCB11PDE3ALMNASMN1; SMN2
SCHEMBL683253 0.94 ACE (0.79) ACEABCB11PDE3A
SCHEMBL682454 0.91 ACE (0.87) ACEABCB11PDE3ALMNA
SCHEMBL683951 0.91 ACE (0.91) ACEABCB11PDE3ALMNASMN1; SMN2
SCHEMBL683266 0.90 ACE (0.71) ACEABCB11PDE3ALMNASMN1; SMN2
Maleic Acid SCHEMBL4191053 0.90 ACE (0.77) ACEABCB11PDE3ALMNASMN1; SMN2
SCHEMBL16364866 0.88 ACE (0.86) ACEABCB11PDE3ALMNASMN1; SMN2
SCHEMBL4448940 0.87 ACE (0.80) ACEABCB11PDE3ALMNA

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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
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 4514/4885ABCB11 4659/4885PDE3A 203/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ACE 6/4885ABCB11 4566/4885PDE3A 413/4885

“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.