SCHEMBL25005728

SCHEMBL25005728

CN1CC(F)(F)C2(C1)CN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TMEM97 Q5BJF2 6/20 0.46
SIGMAR1 Q99720 6/20 0.46
HTR2C P28335 2/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
HRH2 P25021 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR1E P28566 1/20 0.46
SLC6A4 P31645 1/20 0.46
HRH1 P35367 1/20 0.46

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
SCHEMBL30768110 0.89 MEN1 (0.45) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL25004735 0.85 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL25005727 0.84 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL27034856 0.84 MEN1 (0.45) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL27033629 0.82 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30768113 0.79 ALDH1A1 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL22075574 0.78 KMT2A (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30955008 0.78 MEN1 (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30966754 0.78 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31555893 0.78 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 MEN1 3132/4885KMT2A 2253/4885NPSR1 1783/4885

“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.