SCHEMBL22334381

SCHEMBL22334381

CC(C)c1cccc2c1CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.52
CRBN Q96SW2 1/20 0.52
MAPK1 P28482 2/20 0.48
ABHD6 Q9BV23 2/20 0.45
NAMPT P43490 4/20 0.44
C5AR1 P21730 1/20 0.44
ESR2 Q92731 1/20 0.43
NR1H2 P55055 1/20 0.42
HDAC1 Q13547 1/20 0.41
UCHL1 P09936 1/20 0.41
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
DPP7 Q9UHL4 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN9A Q15858 1/20 0.39

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
SCHEMBL10169288 0.88 ESR2 (0.52) DDB1CRBNMAPK1ABHD6NAMPT
SCHEMBL30686893 0.88 DDB1 (0.51) DDB1CRBNMAPK1ABHD6NAMPT
SCHEMBL26923024 0.88 DDB1 (0.51) DDB1CRBNMAPK1ABHD6NAMPT
SCHEMBL28609976 0.85 DDB1 (0.48) DDB1CRBNMAPK1ABHD6NAMPT
Lithium Ion SCHEMBL21807164 0.84 DDB1 (0.47) DDB1CRBNMAPK1ABHD6NAMPT
SCHEMBL15893741 0.83 DDB1 (0.54) DDB1CRBNMAPK1ABHD6NAMPT
SCHEMBL25601626 0.83 DDB1 (0.56) DDB1CRBNMAPK1ABHD6NAMPT
SCHEMBL21807241 0.82 DDB1 (0.46) DDB1CRBNMAPK1ABHD6NAMPT
SCHEMBL15893734 0.82 DDB1 (0.55) DDB1CRBNMAPK1ABHD6NAMPT
SCHEMBL8221404 0.82 DDB1 (0.55) DDB1CRBNMAPK1ABHD6NAMPT

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
EP-3700911-B1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2023-09-06 EP disclosed
US-20200253993-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2020-08-13 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-20200253993-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME C1R, RDX, F12 DDB1 4148/4885CRBN 1309/4885MAPK1 3667/4885

“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.