SCHEMBL25313541

SCHEMBL25313541

C[C@@H](NC(=O)c1ccc2c(c1)CC(=O)N2)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.56
SMYD3 Q9H7B4 14/20 0.52
ANPEP P15144 1/20 0.52
AHR P35869 1/20 0.51
B3GNT2 Q9NY97 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL25313543 1.00 AKT1 (0.56) AKT1SMYD3ANPEPAHRB3GNT2
SCHEMBL25312585 0.89 SMYD3 (0.55) AKT1SMYD3ANPEP
SCHEMBL25312590 0.89 SMYD3 (0.55) AKT1SMYD3ANPEP
SCHEMBL25313196 0.88 ANPEP (0.57) AKT1SMYD3ANPEP
SCHEMBL25313198 0.88 ANPEP (0.57) AKT1SMYD3ANPEP
SCHEMBL25315485 0.88 SMYD3 (0.65) SMYD3ANPEP
SCHEMBL30376200 0.88 SMYD3 (0.65) SMYD3ANPEP
SCHEMBL18006588 0.88 SMYD3 (0.65) SMYD3ANPEP
SCHEMBL30375783 0.88 SMYD3 (0.65) SMYD3ANPEP
SCHEMBL25312087 0.88 SMYD3 (0.54) AKT1SMYD3ANPEPAHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212120-A1 SMALL MOLECULE INHIBITORS OF GRK5 AND GRK5 SUBFAMILY MEMBERS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-07-06 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-20230212120-A1 SMALL MOLECULE INHIBITORS OF GRK5 AND GRK5 SUBFAMILY MEMBERS AND USES THEREOF GRK5, GRK3, GRK4 AKT1 1193/4885SMYD3 2227/4885ANPEP 3978/4885

“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.