SCHEMBL24323633

SCHEMBL24323633

CC(C)CNC(=O)CC[C@@H](N)C(=O)NCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
DPP4 P27487 2/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
DPP7 Q9UHL4 2/20 0.40
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
EPHX2 P34913 2/20 0.39
CTSD P07339 1/20 0.39
NOD1 Q9Y239 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP14 P50281 1/20 0.38
ANPEP P15144 1/20 0.38
DNPEP Q9ULA0 1/20 0.38

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
SCHEMBL1768706 0.85 SLC1A1 (0.50) CYP2D6CYP2C19HPGDSLC1A2SLC1A1
SCHEMBL14381159 0.85 CYP2D6 (0.42) CYP2D6CYP2C19HPGDALDH1A1DPP4
SCHEMBL1768701 0.85 SLC1A1 (0.50) CYP2D6CYP2C19HPGDSLC1A2SLC1A1
SCHEMBL14612078 0.80 CYP2D6 (0.41) CYP2D6CYP2C19HPGDDPP7SLC1A2
SCHEMBL9349283 0.80 CYP2D6 (0.52) CYP2D6CYP2C19HPGDALDH1A1EPHX2
SCHEMBL13789959 0.78 SLC7A5 (0.54) CYP2D6CYP2C19HPGDSLC1A2SLC1A1
SCHEMBL5224064 0.78 DPP7 (0.66) CYP2D6CYP2C19DPP4DPP8DPP9
SCHEMBL25023424 0.77 NOD1 (0.46) ALDH1A1DPP4DPP8DPP9DPP7
SCHEMBL25015353 0.76 DPP7 (0.64) DPP4DPP8DPP9DPP7SLC1A2
SCHEMBL22369853 0.76 GNAI3 (0.59) DPP4DPP8DPP9DPP7MMP2

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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN CYP2D6 4712/4885CYP2C19 4010/4885HPGD 1284/4885

“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.