SCHEMBL29313371

SCHEMBL29313371

NCCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 4/20 0.39
▸ KEAP1 Q14145 5/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.38
▸ CCKBR P32239 2/20 0.37
▸ CALCRL Q16602 1/20 0.37
▸ TACR3 P29371 1/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ IL23R Q5VWK5 1/20 0.36
▸ QRFPR Q96P65 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
SCHEMBL29313329 0.99 OPRL1 (0.41) OPRL1KEAP1BCL2L1CCKBRCALCRL
SCHEMBL29311718 0.93 CCKBR (0.43) KEAP1OPRD1CCKBRTACR3QRFPR
SCHEMBL29311719 0.93 CCKBR (0.43) KEAP1OPRD1CCKBRTACR3QRFPR
SCHEMBL27273315 0.90 KEAP1 (0.46) KEAP1CCKBRTACR3
SCHEMBL29312729 0.90 KEAP1 (0.46) KEAP1CCKBRTACR3
SCHEMBL27273419 0.90 FOLH1 (0.43) —
SCHEMBL27274438 0.90 FOLH1 (0.43) —
SCHEMBL29312765 0.88 KEAP1 (0.42) KEAP1CCKBRTACR3
SCHEMBL29312741 0.88 KEAP1 (0.42) KEAP1CCKBRTACR3
SCHEMBL29313240 0.87 KEAP1 (0.40) KEAP1CCKBRTACR3QRFPR

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-20240228671-A1 POLYPEPTIDYL LINKERS Quantum-Si Incorporated (US) 2024-07-11 — — 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 (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-20240228671-A1 POLYPEPTIDYL LINKERS VIP, DNPEP, PREP OPRL1 1480/4885KEAP1 1835/4885OPRD1 3695/4885

“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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