SCHEMBL21937028

SCHEMBL21937028

CC(C)(C)OC(=O)N1CCN(c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
ALDH1A1 P00352 5/20 0.51
HTT P42858 3/20 0.51
GPR119 Q8TDV5 4/20 0.50
LMNA P02545 2/20 0.50
DPP4 P27487 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GPR174 Q9BXC1 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMARCA2 P51531 1/20 0.47

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
SCHEMBL21833084 0.92 MAPT (0.45) MAPTALDH1A1HTTGPR119LMNA
SCHEMBL20522058 0.91 SMARCA2 (0.49) MAPTALDH1A1HTTGPR119LMNA
SCHEMBL20668600 0.91 MAPT (0.56) MAPTALDH1A1HTTGPR119LMNA
SCHEMBL21999659 0.90 MAPT (0.53) MAPTALDH1A1HTTGPR119LMNA
SCHEMBL21833197 0.90 LMNA (0.46) MAPTALDH1A1HTTGPR119LMNA
SCHEMBL21832623 0.89 MAPT (0.45) MAPTALDH1A1HTTGPR119LMNA
SCHEMBL20521398 0.89 SMN1; SMN2 (0.49) MAPTALDH1A1HTTGPR119LMNA
SCHEMBL30221908 0.89 SMN1; SMN2 (0.49) MAPTALDH1A1HTTGPR119LMNA
SCHEMBL4130066 0.88 MAPT (0.54) MAPTALDH1A1HTTGPR119LMNA
SCHEMBL29795685 0.88 MAPT (0.54) MAPTALDH1A1HTTGPR119LMNA

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-20200102319-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2020-04-02 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-20200102319-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS ADORA2A, ADORA2B, ADORA1 MAPT 3094/4885ALDH1A1 252/4885HTT 1027/4885

“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.