SCHEMBL25004989

SCHEMBL25004989

CC[C@H]1C[C@@H]1c1ccc2nc(C(F)(F)F)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.40
HTR2B P41595 5/20 0.40
SLC6A4 P31645 8/20 0.40
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
HTR2A P28223 4/20 0.38
SCN9A Q15858 1/20 0.35
BACE1 P56817 2/20 0.34
PDE10A Q9Y233 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
SCHEMBL25004716 0.80 SLC6A4 (0.39) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL25004337 0.78 TLR7 (0.33) SCN9ABACE1
SCHEMBL25005274 0.74 HTR2C (0.34) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL15780114 0.73 SLC6A4 (0.49) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL25005441 0.73 SLC6A4 (0.49) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL23995366 0.73 SLC6A4 (0.38) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL21849069 0.70 CYP1A2 (0.44) BACE1
SCHEMBL23995528 0.70 HTR2C (0.47) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL23993580 0.70 HTR2C (0.67) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL15767785 0.70 HTR2C (0.67) HTR2CHTR2BSLC6A4SLC6A2SLC6A3

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 HTR2C 1699/4885HTR2B 2352/4885SLC6A4 1120/4885

“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.