SCHEMBL21788722

SCHEMBL21788722

CCCC(=O)N[C@@H](CCN)C(=O)NCC(=O)N[C@@H](CCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)NCC)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 8/20 0.56
▸ OPRD1 P41143 8/20 0.56
▸ OPRK1 P41145 4/20 0.56
▸ PSMB5 P28074 4/20 0.53
▸ CTSB P07858 1/20 0.51
▸ KEAP1 Q14145 2/20 0.50
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNB4 P30926 1/20 0.49
▸ CHRNA3 P32297 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49
▸ SYK P43405 1/20 0.47

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
SCHEMBL19981610 1.00 OPRM1 (0.56) OPRM1OPRD1OPRK1PSMB5CTSB
SCHEMBL26947402 0.98 OPRM1 (0.55) OPRM1OPRD1OPRK1PSMB5CTSB
SCHEMBL22520845 0.95 CTSB (0.55) OPRM1OPRD1OPRK1PSMB5CTSB
SCHEMBL22520851 0.94 OPRM1 (0.59) OPRM1OPRD1OPRK1PSMB5CTSB
SCHEMBL24451386 0.92 OPRM1 (0.50) OPRM1OPRD1OPRK1PSMB5CTSB
SCHEMBL22105953 0.92 OPRM1 (0.55) OPRM1OPRD1OPRK1CTSBKEAP1
SCHEMBL25467504 0.92 PSMB5 (0.54) OPRM1OPRD1OPRK1PSMB5CTSB
SCHEMBL22106073 0.91 OPRM1 (0.55) OPRM1OPRD1OPRK1CTSBKEAP1
SCHEMBL22106071 0.90 OPRM1 (0.54) OPRM1OPRD1OPRK1CTSBKEAP1
SCHEMBL22105888 0.90 OPRM1 (0.53) OPRM1OPRD1OPRK1CTSBKEAP1

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-20200069767-A1 NOVEL COMPOUNDS AND THERAPEUTICS USES THEREOF Centauri Therapeutics Limited (GB/GB) (GB) 2020-03-05 — — 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-20200069767-A1 NOVEL COMPOUNDS AND THERAPEUTICS USES THEREOF MAVS, MYD88, CD47 OPRM1 4668/4885OPRD1 4699/4885OPRK1 4657/4885

“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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