SCHEMBL25005282

SCHEMBL25005282

CC(C)[C@H]1C[C@@H]1c1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.57
CYP1A2 P05177 1/20 0.45
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HTR3A P46098 1/20 0.39
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
MGAM O43451 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGDS O60760 1/20 0.36
CNR2 P34972 1/20 0.36
PSMB5 P28074 1/20 0.36

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
SCHEMBL25005258 0.75 KDM4E (0.38) SLC6A4CYP1A2KDM1AMAOBALDH1A1
SCHEMBL17147930 0.73 SLC6A4 (0.53) SLC6A4CYP1A2KDM1AMAOAMAOB
SCHEMBL17785558 0.72 KDM4E (0.56) SLC6A4CYP1A2KDM1AMAOAMAOB
SCHEMBL2135495 0.72 SLC6A4 (0.52) SLC6A4CYP1A2KDM1AMAOAMAOB
SCHEMBL10288441 0.72 SLC6A4 (0.52) SLC6A4CYP1A2KDM1AMAOAMAOB
SCHEMBL25005543 0.72 ALDH1A1 (0.46) SLC6A4CYP1A2PDGFRBPDGFRAALDH1A1
SCHEMBL2135499 0.72 SLC6A4 (0.52) SLC6A4CYP1A2KDM1AMAOAMAOB
SCHEMBL30945561 0.71 SLC6A4 (0.51) SLC6A4CYP1A2KDM1AMAOAMAOB
SCHEMBL2777948 0.71 SLC6A4 (0.51) SLC6A4CYP1A2KDM1AMAOAMAOB
SCHEMBL5974206 0.70 SLC6A4 (0.50) SLC6A4CYP1A2KDM1AMAOAMAOB

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 SLC6A4 1120/4885CYP1A2 3166/4885KDM1A 2052/4885

“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.