SCHEMBL29369748

SCHEMBL29369748

COC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCN=C(N)N

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.59
▸ F2 P00734 1/20 0.57
▸ NMUR2 Q9GZQ4 1/20 0.57
▸ NMUR1 Q9HB89 1/20 0.57
▸ APLNR P35414 1/20 0.54

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
Substance P SCHEMBL18769078 0.93 OPRD1 (0.67) OPRD1F2NMUR2NMUR1
Substance P SCHEMBL19057679 0.93 OPRD1 (0.67) OPRD1F2NMUR2NMUR1
Substance P SCHEMBL1116347 0.93 OPRD1 (0.67) OPRD1F2NMUR2NMUR1
Substance P SCHEMBL29831869 0.93 OPRD1 (0.67) OPRD1F2NMUR2NMUR1
SCHEMBL30013957 0.93 OPRD1 (0.63) OPRD1F2NMUR2NMUR1APLNR
Substance P SCHEMBL17887651 0.93 OPRD1 (0.67) OPRD1F2NMUR2NMUR1
SCHEMBL30342262 0.91 OPRD1 (0.71) OPRD1NMUR2NMUR1
SCHEMBL31332027 0.91 OPRD1 (0.71) OPRD1NMUR2NMUR1
SCHEMBL31135242 0.89 F2 (0.58) OPRD1F2NMUR2NMUR1APLNR
SCHEMBL8459610 0.87 OPRM1 (0.61) OPRD1NMUR2NMUR1APLNR

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-12122730-B2 Methods of carbon-carbon bond fragmentation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-10-22 — — US disclosed
US-20220169580-A1 METHODS OF CARBON-CARBON BOND FRAGMENTATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-02 — — US disclosed
EP-3944739-A2 METHODS OF CARBON-CARBON BOND FRAGMENTATION The Regents of the University of California (US) 2022-02-02 — — EP 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-20220169580-A1 METHODS OF CARBON-CARBON BOND FRAGMENTATION CYCS, COX6C, COXFA4L2 OPRD1 3561/4885F2 184/4885NMUR2 3797/4885
US-12122730-B2 Methods of carbon-carbon bond fragmentation CYCS, COX6C, COXFA4L2 OPRD1 3561/4885F2 184/4885NMUR2 3797/4885

“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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