SCHEMBL25882229

SCHEMBL25882229

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.40
▸ OPRD1 P41143 2/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ DGKA P23743 3/20 0.37
▸ DGKZ Q13574 3/20 0.37
▸ DPP8 Q6V1X1 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ CHRM1 P11229 5/20 0.36
▸ SLC6A2 P23975 4/20 0.36
▸ SLC6A3 Q01959 3/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HRH1 P35367 1/20 0.36

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
SCHEMBL13955139 0.83 OPRD1 (0.50) SIGMAR1OPRD1OPRM1OPRK1OPRL1
SCHEMBL21831126 0.75 SIGMAR1 (0.54) SIGMAR1OPRD1OPRM1OPRK1OPRL1
SCHEMBL21831659 0.75 SIGMAR1 (0.54) SIGMAR1OPRD1OPRM1OPRK1OPRL1
SCHEMBL7427589 0.75 SIGMAR1 (0.54) SIGMAR1OPRD1OPRM1OPRK1OPRL1
SCHEMBL25327760 0.75 SIGMAR1 (0.54) SIGMAR1OPRD1OPRM1OPRK1OPRL1
SCHEMBL7430109 0.75 SIGMAR1 (0.54) SIGMAR1OPRD1OPRM1OPRK1OPRL1
SCHEMBL25328640 0.75 SIGMAR1 (0.54) SIGMAR1OPRD1OPRM1OPRK1OPRL1
SCHEMBL7427594 0.75 SIGMAR1 (0.54) SIGMAR1OPRD1OPRM1OPRK1OPRL1
Hydrochloric Acid SCHEMBL21831397 0.74 SIGMAR1 (0.53) SIGMAR1OPRD1OPRM1OPRK1OPRL1
SCHEMBL9256532 0.74 SIGMAR1 (0.38) SIGMAR1OPRD1OPRM1OPRK1OPRL1

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 3220/4885OPRD1 2019/4885OPRM1 4240/4885

“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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