SCHEMBL3360397

SCHEMBL3360397

CC(NC(=O)OCc1ccccc1)C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.53
SIGMAR1 Q99720 3/20 0.52
BACE1 P56817 2/20 0.49
CAPN1 P07384 1/20 0.47
CAPN2 P17655 1/20 0.47
CTSK P43235 1/20 0.47
P2RX7 Q99572 6/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL3360393 1.00 ACKR3 (0.53) ACKR3SIGMAR1BACE1CAPN1CAPN2
SCHEMBL30750666 0.89 SIGMAR1 (0.61) ACKR3SIGMAR1MEN1MAPTKMT2A
SCHEMBL6220780 0.89 SIGMAR1 (0.61) ACKR3SIGMAR1MEN1MAPTKMT2A
SCHEMBL13496112 0.86 P2RX7 (0.54) ACKR3CTSKP2RX7
SCHEMBL13496161 0.85 CAPN1 (0.55) ACKR3CAPN1CAPN2CTSKMEN1
SCHEMBL18751224 0.85 SIGMAR1 (0.59) ACKR3SIGMAR1MEN1MAPTKMT2A
SCHEMBL25374458 0.83 SIGMAR1 (0.67) ACKR3SIGMAR1
SCHEMBL29889007 0.82 SIGMAR1 (0.56) ACKR3SIGMAR1BACE1P2RX7MEN1
SCHEMBL21069668 0.80 LMNA (0.58) ACKR3SIGMAR1BACE1P2RX7MEN1
SCHEMBL828979 0.80 SIGMAR1 (0.66) ACKR3SIGMAR1MAPT

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-20100036122-A1 CLEAVAGE AGENT SELECTIVELY ACTING ON SOLUBLE ASSEMBLY OF AMYLOIDOGENIC PEPTIDE OR PROTEIN SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KP) 2010-02-11 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-20100036122-A1 CLEAVAGE AGENT SELECTIVELY ACTING ON SOLUBLE ASSEMBLY OF AMYLOIDOGENIC PEPTIDE OR PROTEIN APP, BACE1, IAPP ACKR3 2018/4885SIGMAR1 4672/4885BACE1 2/4885

“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.