SCHEMBL25005707

SCHEMBL25005707

CC[C@H]1C[C@@H]1c1cnc2c(C(F)(F)F)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.44
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
KDM4E B2RXH2 1/20 0.38
KDM1A O60341 2/20 0.37
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
HTR2A P28223 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PDE10A Q9Y233 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GRIA2 P42262 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
MAOB P27338 1/20 0.33

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 0.80 KDM4E (0.38) SLC6A4KDM4EKDM1AHTR2BHTR2A
SCHEMBL30224671 0.75 KDM4E (0.34) SLC6A4KDM4EKDM1ACNR1CNR2
SCHEMBL24987024 0.72 PARP1 (0.55) KDM4EGRIN1NR1H2NR1H3PSMD14
SCHEMBL23993219 0.71 CHRNB2 (0.39) SLC6A4CHRNB2CHRNA4KDM1AHTR2C
SCHEMBL3051052 0.71 PSMD14 (0.41) KDM4ECNR1CNR2NR1H2NR1H3
SCHEMBL25004716 0.70 SLC6A4 (0.39) SLC6A4CHRNB2CHRNA4KDM1AHTR2C
SCHEMBL26563578 0.70 PARP1 (0.43) KDM4ENR1H2NR1H3PSMD14COPS5
SCHEMBL22326604 0.70 PSMD14 (0.64) KDM4ECNR1CNR2NR1H2NR1H3
SCHEMBL23993630 0.69 HTR2C (0.70) SLC6A4KDM1AHTR2CHTR2BHTR2A
SCHEMBL15767914 0.69 HTR2C (0.70) SLC6A4KDM1AHTR2CHTR2BHTR2A

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 1120/4885CHRNB2 1900/4885CHRNA4 1552/4885

“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.