SCHEMBL12253518

SCHEMBL12253518

C=CC[C@H](NCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 10/20 0.52
▸ LTA4H P09960 5/20 0.52
▸ LMNA P02545 1/20 0.48
▸ ACE2 Q9BYF1 4/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7087531 0.85 ACE (0.56) ACELTA4HLMNAACE2
SCHEMBL29290359 0.85 ACE (0.56) ACELTA4HLMNAACE2
SCHEMBL13923719 0.82 ACE (0.63) ACELTA4HLMNAACE2SMN1; SMN2
SCHEMBL27890164 0.81 ACE (0.73) ACELTA4HLMNAACE2
SCHEMBL27890165 0.81 ACE (0.73) ACELTA4HLMNAACE2
SCHEMBL6436563 0.80 ACE (0.65) ACELTA4HLMNAACE2SMN1; SMN2
SCHEMBL6438293 0.80 ACE (0.65) ACELTA4HLMNAACE2SMN1; SMN2
SCHEMBL6438290 0.80 ACE (0.65) ACELTA4HLMNAACE2SMN1; SMN2
SCHEMBL6436560 0.80 ACE (0.65) ACELTA4HLMNAACE2SMN1; SMN2
SCHEMBL13942467 0.80 ACE (0.43) ACELTA4HLMNAACE2SMN1; 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-8013170-B2 Substituted pyrrolo[1,2-d][1,4]-diazonines and treatment of brain damage NEUREN PHARMACEUTICALS LIMITED (AU) 2011-09-06 — — US disclosed
US-20110052528-A1 Neuroprotective macrocyclic compounds and methods for their use NEUREN PHARMACEUTICALS LIMITED (NZ) 2011-03-03 — — 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-20110052528-A1 Neuroprotective macrocyclic compounds and methods for their use NLN, BAD, BDNF ACE 1715/4885LTA4H 3453/4885LMNA 388/4885

“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.

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