SCHEMBL25005218

SCHEMBL25005218

CC(C)[C@H]1C[C@@H]1c1ccc(F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
HTR7 P34969 1/20 0.34
KDM1A O60341 5/20 0.34
KDM1B Q8NB78 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL25005215 0.87 SLC6A3 (0.39) KCNH2SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL19368235 0.80 TP53 (0.39) KCNH2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL25004705 0.78 MDM2 (0.49) SLC6A2SLC6A4SLC6A3MDM2HTR2A
SCHEMBL23995488 0.78 MDM2 (0.49) SLC6A2SLC6A4SLC6A3MDM2HTR2A
SCHEMBL23995541 0.78 AR (0.43) SLC6A4
SCHEMBL25004990 0.78 KDM1A (0.46) SLC6A4HTR2AHTR2CHTR2BKDM1A
SCHEMBL23993596 0.76 HTR2A (0.51) SLC6A2SLC6A3TP53MDM2HTR2A
SCHEMBL2320349 0.75 SLC6A2 (0.41) KCNH2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL24974216 0.74 KDM1A (0.52) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL25004706 0.74 KDM1A (0.52) SLC6A2SLC6A4SLC6A3HTR2AHTR2C

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 KCNH2 3918/4885CYP2D6 1872/4885SLC6A2 1082/4885

“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.