SCHEMBL25882893

SCHEMBL25882893

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CACNA1B Q00975 2/20 0.38
▸ DPP4 P27487 3/20 0.36
▸ DPP7 Q9UHL4 3/20 0.36
▸ DPP8 Q6V1X1 2/20 0.36
▸ DPP9 Q86TI2 2/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ KCNH2 Q12809 3/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ SLC6A9 P48067 2/20 0.34

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
SCHEMBL25883261 0.85 NR3C2 (0.39) SMN1; SMN2ALDH1A1DPP4DPP7
SCHEMBL25883463 0.81 KDM4E (0.38) KDM4ESMN1; SMN2ALDH1A1CACNA1BDPP4
SCHEMBL25882920 0.80 SIGMAR1 (0.33) KDM4ESMN1; SMN2ALDH1A1CACNA1BDPP4
SCHEMBL21911488 0.80 SIGMAR1 (0.48) KDM4ECACNA1BSIGMAR1SLC6A9
SCHEMBL25881984 0.79 SIGMAR1 (0.40) SMN1; SMN2ALDH1A1DPP4DPP7DPP8
SCHEMBL25882229 0.79 SIGMAR1 (0.40) SMN1; SMN2ALDH1A1DPP4DPP7DPP8
SCHEMBL25881977 0.79 SIGMAR1 (0.40) SMN1; SMN2ALDH1A1DPP4DPP7DPP8
SCHEMBL25882219 0.79 SIGMAR1 (0.40) SMN1; SMN2ALDH1A1DPP4DPP7DPP8
SCHEMBL25882915 0.79 KMT2A (0.36) SMN1; SMN2ALDH1A1
SCHEMBL25883264 0.76 SIGMAR1 (0.39) SMN1; SMN2ALDH1A1CACNA1BSIGMAR1KCNH2

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 KDM4E 1982/4885SMN1; SMN2 4357/4885ALDH1A1 3814/4885

“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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