SCHEMBL23993605

SCHEMBL23993605

CC(C)N1CC(C2CCC2)C1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL15222421 0.92 ALDH1A1 (0.40) ALDH1A1HRH3
SCHEMBL10254957 0.92 HRH3 (0.32) ALDH1A1HRH3
SCHEMBL16663585 0.92 HRH3 (0.32) ALDH1A1HRH3
SCHEMBL21210713 0.92 HRH3 (0.32) ALDH1A1HRH3
SCHEMBL25005424 0.89 HRH3 (0.33) HRH3
SCHEMBL24669047 0.86 ALDH1A1 (0.37) ALDH1A1HRH3
SCHEMBL23514642 0.86 ALDH1A1 (0.37) ALDH1A1HRH3
SCHEMBL2741645 0.86 ALDH1A1 (0.37) ALDH1A1HRH3
SCHEMBL24669048 0.86 ALDH1A1 (0.37) ALDH1A1HRH3
SCHEMBL12040654 0.86 HRH3 (0.32) HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 WO 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 ALDH1A1 347/4885HRH3 2928/4885

“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.