SCHEMBL13533686

SCHEMBL13533686

NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.65
REN P00797 1/20 0.56
OPRM1 P35372 1/20 0.54
ACE2 Q9BYF1 2/20 0.54
DPP4 P27487 1/20 0.53
DPP8 Q6V1X1 1/20 0.53
PREP P48147 2/20 0.52
CTRB1 P17538 1/20 0.52
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51

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
SCHEMBL8265844 1.00 ACE (0.65) ACERENOPRM1ACE2DPP4
SCHEMBL8257846 1.00 ACE (0.65) ACERENOPRM1ACE2DPP4
SCHEMBL8261181 0.92 ACE (0.76) ACERENACE2
SCHEMBL9574253 0.92 ACE (0.76) ACERENACE2
SCHEMBL8268894 0.92 ACE (0.76) ACERENACE2
SCHEMBL5970431 0.92 ACE (0.76) ACERENACE2
SCHEMBL6979828 0.92 ACE (0.76) ACERENACE2
SCHEMBL9477156 0.92 ACE (0.76) ACERENACE2
SCHEMBL20173744 0.89 REN (0.58) ACERENACE2
SCHEMBL18620591 0.89 ACE (0.64) ACERENACE2PREPCTRB1

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-20100022646-A1 METHOD OF NEUTRALISING ORGANOBORONATES WITH ACIDS TRIGEN LIMITED (GB) 2010-01-28 US disclosed
US-20100022646-A1 METHOD OF NEUTRALISING ORGANOBORONATES WITH ACIDS TRIGEN LIMITED (GB) 2010-01-28 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-20100022646-A1 METHOD OF NEUTRALISING ORGANOBORONATES WITH ACIDS LIPC, CYP8B1, SCD ACE 1581/4885REN 2004/4885OPRM1 921/4885

“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.