SCHEMBL29313281

SCHEMBL29313281

CNC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ QRFPR Q96P65 5/20 0.49
▸ OPRK1 P41145 1/20 0.48
▸ BCL2L1 Q07817 1/20 0.46
▸ GHSR Q92847 3/20 0.46
▸ IL23R Q5VWK5 2/20 0.46
▸ CALCRL Q16602 1/20 0.46
▸ OPRL1 P41146 1/20 0.45

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
SCHEMBL29313314 1.00 QRFPR (0.49) QRFPROPRK1BCL2L1GHSRIL23R
SCHEMBL27273355 0.91 QRFPR (0.48) QRFPRBCL2L1GHSRIL23ROPRL1
SCHEMBL29311915 0.90 KEAP1 (0.50) QRFPROPRK1
SCHEMBL29311988 0.90 KEAP1 (0.50) QRFPROPRK1
SCHEMBL29313808 0.88 OPRK1 (0.48) QRFPROPRK1
SCHEMBL29311903 0.86 OPRD1 (0.51) OPRK1
SCHEMBL29312019 0.86 OPRD1 (0.51) OPRK1
SCHEMBL21320398 0.86 CHRNA1 (0.49) QRFPROPRK1CALCRL
SCHEMBL27272159 0.85 CHRNA1 (0.46) QRFPRBCL2L1GHSRIL23RCALCRL
SCHEMBL29312038 0.84 CTSB (0.61) OPRK1

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 QRFPR 488/4885OPRK1 3053/4885BCL2L1 4470/4885

“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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