SCHEMBL30788014

SCHEMBL30788014

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(C)C)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)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 6/20 0.60
SLC6A2 P23975 2/20 0.58
RAMP1 O60894 1/20 0.54
KEAP1 Q14145 1/20 0.51
REN P00797 4/20 0.51
OPRK1 P41145 1/20 0.49
CTSD P07339 1/20 0.49

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
SCHEMBL30788011 0.98 CALCRL (0.61) CALCRLSLC6A2RAMP1KEAP1REN
SCHEMBL30788021 0.98 CALCRL (0.61) CALCRLSLC6A2RAMP1KEAP1REN
SCHEMBL30788025 0.95 CALCRL (0.61) CALCRLSLC6A2RAMP1KEAP1REN
SCHEMBL30788010 0.91 CALCRL (0.61) CALCRLSLC6A2RAMP1RENOPRK1
SCHEMBL30586507 0.91 SLC6A2 (0.57) CALCRLSLC6A2RENOPRK1
SCHEMBL30788019 0.89 SLC6A2 (0.68) CALCRLSLC6A2
SCHEMBL29368042 0.88 OPRM1 (0.56) CALCRLSLC6A2RENOPRK1
SCHEMBL29679944 0.88 CALCRL (0.56) CALCRLSLC6A2RAMP1RENOPRK1
SCHEMBL31151838 0.88 SLC6A2 (0.73) CALCRLSLC6A2RENOPRK1
SCHEMBL6374240 0.87 OPRM1 (0.52) CALCRLSLC6A2OPRK1

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 CALCRL 314/4885SLC6A2 3078/4885RAMP1 3913/4885

“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.