SCHEMBL25005228

SCHEMBL25005228

COc1cccc([C@H]2C[C@@H]2C(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.56
HTR2A P28223 2/20 0.56
HTR2B P41595 2/20 0.56
ALOX5 P09917 1/20 0.49
SLC9A1 P19634 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
KDM1A O60341 3/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
RCOR1 Q9UKL0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRA1A P35348 1/20 0.42
FFAR1 O14842 1/20 0.41

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
SCHEMBL9019855 0.87 HTR2C (0.57) HTR2CHTR2AHTR2BALOX5SLC9A1
SCHEMBL9019856 0.87 HTR2C (0.57) HTR2CHTR2AHTR2BALOX5SLC9A1
SCHEMBL8098456 0.87 HTR2C (0.54) HTR2CHTR2AHTR2BALOX5SLC9A1
SCHEMBL8098198 0.87 HTR2C (0.54) HTR2CHTR2AHTR2BALOX5SLC9A1
SCHEMBL25004988 0.81 ALOX5 (0.45) HTR2CHTR2AHTR2BALOX5KDM1A
SCHEMBL8332790 0.81 SLC9A1 (0.56) HTR2CHTR2AHTR2BALOX5SLC9A1
SCHEMBL8330687 0.79 SLC9A1 (0.54) HTR2CHTR2AHTR2BALOX5SLC9A1
SCHEMBL8332241 0.79 ALOX5 (0.55) HTR2CHTR2AHTR2BALOX5SLC9A1
SCHEMBL25005229 0.79 KDM1A (0.58) HTR2CKDM1AMAOAMAOB
SCHEMBL8333649 0.79 HTR2C (0.63) HTR2CHTR2AHTR2BSLC9A1CHRM2

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 1699/4885HTR2A 1593/4885HTR2B 2352/4885

“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.