SCHEMBL20206539

SCHEMBL20206539

Cc1ccc(C(=O)NCC(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.52
CNR1 P21554 3/20 0.48
NAMPT P43490 1/20 0.44
ADORA2A P29274 1/20 0.44
NR1H4 Q96RI1 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ESRRG P62508 1/20 0.42
EPHX2 P34913 2/20 0.42
MAPK14 Q16539 1/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL12068769 0.86 PTGS1 (0.49) NR1H4ALDH1A1ESRRGEPHX2MAPK14
SCHEMBL20064057 0.83 L3MBTL1 (0.51) ALDH1A1ESRRGMAPK14HPGDMEN1
SCHEMBL19818454 0.83 CNR2 (0.47) CNR2CNR1NAMPTADORA2ANR1H4
SCHEMBL20073521 0.83 HPGD (0.53) ALDH1A1ESRRGMAPK14HPGDHTT
SCHEMBL20206569 0.81 NR1H4 (0.53) CNR2CNR1NR1H4EPHX2MEN1
SCHEMBL20064048 0.80 HDAC6 (0.46) NR1H4EPHX2MAPK14HPGDMAPT
SCHEMBL19818470 0.79 CNR2 (0.39) CNR2CNR1NAMPTADORA2ANR1H4
SCHEMBL17865785 0.79 ADORA2A (0.59) CNR2CNR1NAMPTADORA2ANR1H4
SCHEMBL19818475 0.79 CNR2 (0.50) CNR2CNR1NAMPTADORA2ANR1H4
SCHEMBL13483866 0.76 RAB9A (0.60) NR1H4ALDH1A1ESRRGEPHX2HPGD

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-10682419-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2020-06-16 US disclosed
US-20180147291-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2018-05-31 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 (2 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-20180147291-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, VIP, PEPD CNR2 3796/4885CNR1 3391/4885NAMPT 1706/4885
US-10682419-B2 Prodrugs of peptide epoxy ketone protease inhibitors PREP, VIP, PEPD CNR2 3796/4885CNR1 3391/4885NAMPT 1706/4885

“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.