SCHEMBL18255299

SCHEMBL18255299

CCCCOC(=O)[C@H](N)CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NMBR P28336 14/20 0.56
TACR1 P25103 1/20 0.51
TACR3 P29371 1/20 0.49
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL18255297 0.89 CTSL (0.54) NMBRTACR1MAPT
SCHEMBL16915248 0.89 NMBR (0.58) NMBRTACR1TACR3GAAMAPT
SCHEMBL18251829 0.88 NMBR (0.65) NMBRTACR1MMP9MMP8GAA
SCHEMBL18255298 0.87 NMBR (0.51) NMBRTACR1MMP2MMP8
SCHEMBL9088692 0.86 NMBR (0.72) NMBRTACR1TACR3GAAMAPT
SCHEMBL6013894 0.82 NMBR (0.61) NMBRTACR1TACR3GAAMAPT
SCHEMBL4930789 0.81 NMBR (0.58) NMBRTACR1TACR3MAPT
SCHEMBL4930779 0.81 NMBR (0.58) NMBRTACR1TACR3MAPT
SCHEMBL18251830 0.81 NMBR (0.70) NMBRTACR1TACR3MMP9MMP8
SCHEMBL6020259 0.81 NMBR (0.58) NMBRTACR1TACR3GAAMAPT

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-20160340387-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE ALPHABETA AB (SE) 2016-11-24 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-20160340387-A1 NOVEL LIGANDS FOR PREVENTION OF NEUROTOXICITY OF THE ALZHEIMER'S DISEASE RELATED AMYLOID-BETA PEPTIDE APP, BACE1, PSEN1 NMBR 92/4885TACR1 370/4885TACR3 239/4885

“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.