SCHEMBL25313196

SCHEMBL25313196

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.57
HDAC3 O15379 1/20 0.56
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
NPC1 O15118 1/20 0.52
SMYD3 Q9H7B4 11/20 0.52
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
AKT1 P31749 1/20 0.51
ROCK2 O75116 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
SCHEMBL25313198 1.00 ANPEP (0.57) ANPEPHDAC3KMT2AMEN1HTT
SCHEMBL25312585 0.89 SMYD3 (0.55) ANPEPSMYD3AKT1
SCHEMBL25312590 0.89 SMYD3 (0.55) ANPEPSMYD3AKT1
SCHEMBL25313543 0.88 AKT1 (0.56) ANPEPSMYD3AKT1
SCHEMBL25313541 0.88 AKT1 (0.56) ANPEPSMYD3AKT1
SCHEMBL25315485 0.88 SMYD3 (0.65) ANPEPNPC1SMYD3ALDH1A1LMNA
SCHEMBL30376200 0.88 SMYD3 (0.65) ANPEPNPC1SMYD3ALDH1A1LMNA
SCHEMBL18006588 0.88 SMYD3 (0.65) ANPEPNPC1SMYD3ALDH1A1LMNA
SCHEMBL30375783 0.88 SMYD3 (0.65) ANPEPNPC1SMYD3ALDH1A1LMNA
SCHEMBL25311225 0.86 SMYD3 (0.52) ANPEPSMYD3AKT1ROCK2

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 ANPEP 3978/4885HDAC3 382/4885KMT2A 1989/4885

“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.