SCHEMBL25004840

SCHEMBL25004840

COC1(C(F)(F)F)CCN(C(C)C)C1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.30

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
SCHEMBL25005994 0.72 CYP2D6 (0.33) CYP2D6
SCHEMBL20315411 0.71 CYP2D6 (0.32) CYP2D6
SCHEMBL25005266 0.71 CYP2D6 (0.32) CYP2D6
SCHEMBL20711794 0.71
SCHEMBL24865146 0.70 GAA (0.31)
SCHEMBL29340914 0.70 CYP2D6 (0.34) CYP2D6
SCHEMBL20412692 0.69 CYP2D6 (0.35) CYP2D6
SCHEMBL25724091 0.69 OPRM1 (0.34) CYP2D6
SCHEMBL19910580 0.69 OPRM1 (0.34) CYP2D6
SCHEMBL20328004 0.69 CYP2D6 (0.32) CYP2D6

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 CYP2D6 1872/4885

“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.