SCHEMBL25005277

SCHEMBL25005277

COCC1(C)CCN(C(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2D6 P10635 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
SCHEMBL22951143 0.88 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL20147333 0.88 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL23732901 0.84 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL19083170 0.78 CYP2D6 (0.33) CYP2D6
SCHEMBL23277842 0.76 ALDH1A1 (0.35) CYP2D6
SCHEMBL24685796 0.76 CYP2D6 (0.32) CYP2D6
SCHEMBL13177018 0.76 ALDH1A1 (0.35) CYP2D6
SCHEMBL19098320 0.76 CYP2D6 (0.36) CYP2D6
SCHEMBL24634098 0.76 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL23564346 0.76 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6

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 SLC6A2 1082/4885SLC6A4 1120/4885SLC6A3 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.