SCHEMBL25883376

SCHEMBL25883376

C[C@@H]1CC[C@@H](C)N(C(c2ccc(F)cc2)C(F)(F)CO)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ DPP4 P27487 3/20 0.35
▸ DPP7 Q9UHL4 3/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL25883379 0.85 SIGMAR1 (0.37) SIGMAR1SLC6A3KCNH2DRD2DRD3
SCHEMBL25883366 0.83 SIGMAR1 (0.35) SIGMAR1SLC6A3KCNH2DRD2DRD3
SCHEMBL21910747 0.82 SIGMAR1 (0.49) SIGMAR1SLC6A3KCNH2DRD2DRD3
SCHEMBL25883264 0.79 SIGMAR1 (0.39) SIGMAR1SLC6A3KCNH2DRD2DRD3
SCHEMBL21831657 0.78 DPP8 (0.36) SIGMAR1KCNH2DPP4DPP7DPP8
SCHEMBL25883375 0.78 MAPT (0.35) SIGMAR1DPP4DPP7DPP8ALDH1A1
Trifluoroacetic Acid SCHEMBL21831319 0.76 SIGMAR1 (0.44) SIGMAR1KCNH2DPP4DPP7DPP8
SCHEMBL25882229 0.76 SIGMAR1 (0.40) SIGMAR1SLC6A3DRD2DRD3DPP4
SCHEMBL25882219 0.76 SIGMAR1 (0.40) SIGMAR1SLC6A3DRD2DRD3DPP4
SCHEMBL25881977 0.76 SIGMAR1 (0.40) SIGMAR1SLC6A3DRD2DRD3DPP4

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-11713316-B2 Substituted naphthyridinone compounds useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 — — 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-11713316-B2 Substituted naphthyridinone compounds useful as T cell activators DGKZ, DGKA, DGKG SIGMAR1 3220/4885SLC6A3 4255/4885KCNH2 2003/4885

“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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