SCHEMBL25004716

SCHEMBL25004716

CC[C@H]1C[C@@H]1c1ccc2cnc(C(F)(F)F)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
HTR2C P28335 6/20 0.37
HTR2B P41595 5/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR2A P28223 4/20 0.35
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PDE10A Q9Y233 2/20 0.32
SCN9A Q15858 1/20 0.31
LNPEP Q9UIQ6 1/20 0.30

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
SCHEMBL25004989 0.80 HTR2C (0.40) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL25004338 0.79 KDM1A (0.30) KDM1AMAOAMAOB
SCHEMBL23995366 0.72 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL25005707 0.70 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL23993219 0.69 CHRNB2 (0.39) SLC6A4HTR2CHTR2BCHRNB2CHRNA4
SCHEMBL23995528 0.69 HTR2C (0.47) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL15767785 0.69 HTR2C (0.67) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL23993580 0.69 HTR2C (0.67) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
SCHEMBL23993630 0.67 HTR2C (0.70) SLC6A4SLC6A3HTR2CHTR2BHTR2A
SCHEMBL15767914 0.67 HTR2C (0.70) SLC6A4SLC6A3HTR2CHTR2BHTR2A

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 1120/4885SLC6A2 1082/4885SLC6A3 1100/4885

“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.