SCHEMBL22963159

SCHEMBL22963159

CCN(CC)c1ccc2c(-c3ccccc3C(=O)N3CCN(C(=O)CCC(=O)NCCOCCOCCOCCN=[N+]=[N-])CC3)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.53
▸ NPY4R P50391 3/20 0.52
▸ CHRM1 P11229 3/20 0.46
▸ AVPR2 P30518 6/20 0.45
▸ FPR2 P25090 4/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ OXTR P30559 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL13895487 0.87 TGM2 (0.57) TGM2NPY4RCHRM1AVPR2FPR2
Hydrochloric Acid SCHEMBL13736180 0.86 TGM2 (0.57) TGM2NPY4RCHRM1AVPR2FPR2
SCHEMBL12870952 0.83 TGM2 (0.60) TGM2NPY4RCHRM1AVPR2FPR2
SCHEMBL18732968 0.81 TGM2 (0.61) TGM2NPY4RCHRM1AVPR2FPR2
SCHEMBL13103120 0.81 TGM2 (0.61) TGM2NPY4RCHRM1AVPR2FPR2
SCHEMBL18087519 0.81 TGM2 (0.62) TGM2NPY4RCHRM1AVPR2FPR2
SCHEMBL13997540 0.80 NPY4R (0.58) TGM2NPY4RCHRM1AVPR2FPR2
SCHEMBL19000683 0.80 TGM2 (0.50) TGM2NPY4RCHRM1AVPR2FPR2
SCHEMBL17126766 0.79 TGM2 (0.60) TGM2NPY4RCHRM1AVPR2FPR2
SCHEMBL13114579 0.79 TGM2 (0.58) TGM2NPY4RCHRM1AVPR2FPR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148436-A2 NOVEL SMALL MOLECULE IMMUNE AGONISTS AND IMMUNE TARGETING COMPOUNDS AND APPLICATION THEREOF SHENZHEN UNIVERSITY (CN) 2023-05-11 — — US disclosed
US-20230148436-A2 NOVEL SMALL MOLECULE IMMUNE AGONISTS AND IMMUNE TARGETING COMPOUNDS AND APPLICATION THEREOF SHENZHEN UNIVERSITY (CN) 2023-05-11 — — US disclosed
US-20210038605-A1 NOVEL SMALL MOLECULE IMMUNE AGONISTS AND IMMUNE TARGETING COMPOUNDS AND APPLICATION THEREOF UNIV SHENZHEN (CN) 2021-02-11 — — 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 (2 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-20230148436-A2 NOVEL SMALL MOLECULE IMMUNE AGONISTS AND IMMUNE TARGETING COMPOUNDS AND APPLICATION THEREOF IFNG, IFNAR1, STING1 TGM2 965/4885NPY4R 3353/4885CHRM1 1542/4885
US-20210038605-A1 NOVEL SMALL MOLECULE IMMUNE AGONISTS AND IMMUNE TARGETING COMPOUNDS AND APPLICATION THEREOF IFNG, IFNAR1, STING1 TGM2 965/4885NPY4R 3353/4885CHRM1 1542/4885

“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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