SCHEMBL17991817

SCHEMBL17991817

CSS[C@@H](CC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)O[C@H]1C[C@H](n2ccc(N)nc2=O)O[C@@H]1COP(=O)(O)O)CNC(=O)OCc1ccccc1N=[N+]=[N-]

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 2/20 0.40
▸ EP300 Q09472 3/20 0.39
▸ ENPP1 P22413 1/20 0.38
▸ NAA50 Q9GZZ1 2/20 0.38
▸ RNASEL Q05823 8/20 0.37
▸ KAT5 Q92993 2/20 0.37
▸ AURKA O14965 1/20 0.37
▸ KAT2B Q92831 1/20 0.37
▸ CREBBP Q92793 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
SCHEMBL27222172 1.00 CHAT (0.40) CHATEP300ENPP1NAA50RNASEL
SCHEMBL16287990 1.00 CHAT (0.40) CHATEP300ENPP1NAA50RNASEL
SCHEMBL16288001 1.00 CHAT (0.40) CHATEP300ENPP1NAA50RNASEL
SCHEMBL16287975 1.00 CHAT (0.40) CHATEP300ENPP1NAA50RNASEL
SCHEMBL16287982 1.00 CHAT (0.40) CHATEP300ENPP1NAA50RNASEL
SCHEMBL17991820 0.94 CHAT (0.42) CHATEP300ENPP1NAA50KAT5
SCHEMBL16574734 0.94 CHAT (0.36) CHATEP300ENPP1NAA50RNASEL
SCHEMBL15083455 0.93 CHAT (0.40) CHATEP300ENPP1NAA50RNASEL
SCHEMBL16289137 0.93 CHAT (0.40) CHATEP300ENPP1NAA50RNASEL
SCHEMBL16289101 0.93 CHAT (0.40) CHATEP300ENPP1NAA50RNASEL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166689-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-23 — — US disclosed
US-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-03-04 — — US disclosed
US-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 — — US disclosed
US-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 — — 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-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R CHAT 4808/4885EP300 4472/4885ENPP1 1849/4885
US-20240166689-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R CHAT 4808/4885EP300 4472/4885ENPP1 1849/4885

“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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