SCHEMBL25769751

SCHEMBL25769751

CC(=O)N1CC2(CC(NCC(C)C)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.39
PDCD1LG2 Q9BQ51 1/20 0.39
KDM1A O60341 1/20 0.39
PDCD1 Q15116 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
PIK3CD O00329 1/20 0.36
OPRK1 P41145 1/20 0.35
EPHX1 P07099 3/20 0.33
SMYD3 Q9H7B4 1/20 0.33
EPHX2 P34913 2/20 0.33
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CTSK P43235 1/20 0.31
PEPD P12955 1/20 0.31
RORC P51449 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
SCHEMBL19872412 0.83 CD274 (0.41) CD274PDCD1LG2KDM1APDCD1SMN1; SMN2
SCHEMBL20301757 0.79 EHMT2 (0.40) SMN1; SMN2EPHX1EPHX2
SCHEMBL26812225 0.77 SMN1; SMN2 (0.44) CD274PDCD1LG2KDM1APDCD1SMN1; SMN2
SCHEMBL21322299 0.74 OPRK1 (0.52) SMN1; SMN2PIK3CDOPRK1EPHX1EPHX2
SCHEMBL27080337 0.74 KDM1A (0.41) CD274PDCD1LG2KDM1APDCD1SMN1; SMN2
SCHEMBL24007479 0.73 SMN1; SMN2 (0.44) KDM1ASMN1; SMN2PIK3CDEPHX2
SCHEMBL23992147 0.72 SMN1; SMN2 (0.40) CD274PDCD1LG2KDM1APDCD1SMN1; SMN2
SCHEMBL23732047 0.72 HTT (0.31)
SCHEMBL21870612 0.71 OPRK1 (0.47) SMN1; SMN2PIK3CDOPRK1EPHX1EPHX2
SCHEMBL21290467 0.71 OPRK1 (0.47) SMN1; SMN2PIK3CDOPRK1EPHX1EPHX2

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-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 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-20230212155-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CD274 2/4885PDCD1LG2 3/4885KDM1A 465/4885

“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.