SCHEMBL23029496

SCHEMBL23029496

CC(C)CNC[C@H]1C[C@@H](O)C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.32
▸ ADH1B P00325 1/20 0.31
▸ ADH1C P00326 1/20 0.31
▸ ADH1A P07327 1/20 0.31
▸ GLB1 P16278 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL21618647 1.00 ANPEP (0.32) ANPEPADH1BADH1CADH1AGLB1
SCHEMBL25769684 0.82 EPHX2 (0.34) ANPEPADH1BADH1CADH1ACYP2D6
SCHEMBL25769682 0.82 EPHX2 (0.34) ANPEPADH1BADH1CADH1ACYP2D6
SCHEMBL24842354 0.82 EPHX2 (0.34) ANPEPADH1BADH1CADH1ACYP2D6
SCHEMBL24842118 0.80 ANPEP (0.31) ANPEPADH1BADH1CADH1A
SCHEMBL172630 0.78 — —
SCHEMBL23029495 0.77 — —
SCHEMBL24842107 0.77 — —
SCHEMBL25610530 0.75 BCDIN3D (0.30) —
SCHEMBL15868930 0.74 HTT (0.42) ADH1BADH1CADH1A

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-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 — — US disclosed
US-20210053946-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-02-25 — — 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 (2 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-20230212155-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 ANPEP 3345/4885ADH1B 717/4885ADH1C 1147/4885
US-20210053946-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 ANPEP 3345/4885ADH1B 717/4885ADH1C 1147/4885

“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.

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