SCHEMBL25769657

SCHEMBL25769657

CC(C)CN1CC2(CCC(=O)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 12/20 0.41
TSHR P16473 3/20 0.39
USP2 O75604 6/20 0.38
CYP1A2 P05177 5/20 0.38
HIF1A Q16665 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.36
PIK3CD O00329 3/20 0.36
CYP3A4 P08684 6/20 0.35
ALOX15 P16050 1/20 0.33

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
SCHEMBL26139846 0.79 CYP2D6 (0.38) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL3418584 0.75 PIK3CD (0.51) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL27281654 0.74 CYP2D6 (0.47) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL24607751 0.73 CYP2D6 (0.42) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL25664912 0.71 PIK3CD (0.47) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL26139847 0.70 PIK3CD (0.42) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL21290764 0.70 CYP2D6 (0.40) CYP2D6TSHRSMN1; SMN2PIK3CD
SCHEMBL23770532 0.70 CYP2D6 (0.45) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL16999001 0.70 CYP2D6 (0.45) CYP2D6TSHRUSP2CYP1A2HIF1A
SCHEMBL18926690 0.69 CYP2D6 (0.56) CYP2D6TSHRUSP2CYP1A2HIF1A

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 CYP2D6 1710/4885TSHR 2425/4885USP2 3417/4885

“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.