SCHEMBL25004766

SCHEMBL25004766

CC(C)[C@H]1C[C@@H]1c1ccc(C(=O)N2CCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.58
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 6/20 0.50
TLR2 O60603 2/20 0.48
HTT P42858 2/20 0.48
L3MBTL3 Q96JM7 3/20 0.45
CHRNA7 P36544 1/20 0.45
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TLR1 Q15399 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL25004772 0.84 TLR2 (0.53) MAOAKMT2AALDH1A1HPGDTLR2
SCHEMBL23995338 0.83 KMT2A (0.54) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL23992985 0.83 TLR2 (0.52) MAOAALDH1A1TLR2TLR1
SCHEMBL23995257 0.83 TLR2 (0.46) MAOAKMT2AMEN1LMNATLR2
SCHEMBL23992982 0.83 TLR2 (0.46) MAOAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL25005523 0.83 TLR2 (0.52) MAOAALDH1A1TLR2TLR1
SCHEMBL25004777 0.82 KDM1A (0.48) MAOAKMT2AMEN1HPGDTLR2
SCHEMBL25004771 0.82 TLR2 (0.44) MAOAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL25004781 0.82 TLR2 (0.46) MAOAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL25004983 0.81 NAMPT (0.49) MAOAHPGDTLR2TLR1

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-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E MAOA 1171/4885KMT2A 2253/4885ALDH1A1 347/4885

“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.