SCHEMBL30788019

SCHEMBL30788019

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.68
CALCRL Q16602 3/20 0.60
OPRM1 P35372 3/20 0.55
OPRD1 P41143 2/20 0.55
NMUR2 Q9GZQ4 2/20 0.54
NMUR1 Q9HB89 2/20 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
SCHEMBL30788025 0.91 CALCRL (0.61) SLC6A2CALCRL
SCHEMBL29630334 0.90 SLC6A2 (0.66) SLC6A2CALCRLOPRM1OPRD1
SCHEMBL30788014 0.89 CALCRL (0.60) SLC6A2CALCRL
SCHEMBL30788021 0.89 CALCRL (0.61) SLC6A2CALCRL
SCHEMBL30788011 0.89 CALCRL (0.61) SLC6A2CALCRL
SCHEMBL30518298 0.88 SLC6A2 (0.66) SLC6A2OPRM1OPRD1
SCHEMBL31020744 0.88 SLC6A2 (0.63) SLC6A2CALCRLOPRM1OPRD1NMUR2
SCHEMBL31612357 0.87 SLC6A2 (0.73) SLC6A2OPRM1OPRD1NMUR2NMUR1
SCHEMBL29531376 0.87 SLC6A2 (0.72) SLC6A2CALCRLOPRM1OPRD1
SCHEMBL29530548 0.87 SLC6A2 (0.72) SLC6A2CALCRLOPRM1OPRD1

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-20240042063-A1 LINKED AND OTHER pH-TRIGGERED COMPOUNDS UNIVERSITY OF RHODE ISLAND BOARD OF TRUSTEES 2024-02-08 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-20240042063-A1 LINKED AND OTHER pH-TRIGGERED COMPOUNDS LIPA, PHOSPHO1, NGLY1 SLC6A2 3078/4885CALCRL 314/4885OPRM1 4663/4885

“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.