SCHEMBL25004705

SCHEMBL25004705

CC(C)[C@H]1C[C@@H]1c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.49
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 8/20 0.43
TRPV1 Q8NER1 2/20 0.42
GRIA4 P48058 1/20 0.41
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39

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
SCHEMBL23995488 1.00 MDM2 (0.49) MDM2HTR2AHTR2CHTR2BSLC6A3
SCHEMBL27882712 0.79 MDM2 (0.40) MDM2HTR2AHTR2CHTR2BSLC6A3
SCHEMBL16232201 0.79 KDM1A (0.52) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL17189669 0.79 KDM1A (0.52) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL1993581 0.79 HTR2A (0.44) MDM2HTR2AHTR2CHTR2BSLC6A3
SCHEMBL26696189 0.79 KDM1A (0.52) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL25004706 0.79 KDM1A (0.52) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL24974216 0.79 KDM1A (0.52) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL21503510 0.79 KDM1A (0.52) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL26404238 0.79 KDM1A (0.52) HTR2AHTR2CHTR2BSLC6A3SLC6A2

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 MDM2 2083/4885HTR2A 1593/4885HTR2C 1699/4885

“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.