SCHEMBL23995366

SCHEMBL23995366

CC[C@H]1C[C@@H]1c1ccc2ccc(OCC(F)(F)F)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.38
HPGDS O60760 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
HTR2C P28335 4/20 0.33
HTR2B P41595 3/20 0.33
HTR2A P28223 2/20 0.33
SCN9A Q15858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL23994578 0.83 HPGDS (0.36) HPGDSKCNH2L3MBTL1HDAC1HDAC8
SCHEMBL23995230 0.76 CHRNB2 (0.39) SLC6A4CHRNB2CHRNA4SLC6A2SLC6A3
SCHEMBL23995555 0.76 HTR2C (0.43) SLC6A4CHRNB2CHRNA4SLC6A2SLC6A3
SCHEMBL23994585 0.75 IDO1 (0.35) CHRNB2CHRNA4HTR2CHTR2BHTR2A
SCHEMBL6468609 0.74 MTNR1A (0.37) HPGDSKCNH2L3MBTL1HDAC1HDAC8
SCHEMBL16705084 0.74 CYP1A2 (0.46) HPGDSKCNH2L3MBTL1HDAC1HDAC8
SCHEMBL25005433 0.73 ALDH1A1 (0.46) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL25004989 0.73 HTR2C (0.40) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL25004716 0.72 SLC6A4 (0.39) SLC6A4CHRNB2CHRNA4SLC6A2SLC6A3
SCHEMBL6370641 0.72 HPGDS (0.37) HPGDSKCNH2L3MBTL1HDAC1HDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 WO 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 1120/4885HPGDS 915/4885CHRNB2 1900/4885

“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.