SCHEMBL3355433

SCHEMBL3355433

CC(C)CC(NC(=O)Oc1ccccc1)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 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.52
CAPN1 P07384 2/20 0.47
HRH2 P25021 2/20 0.47
HRH1 P35367 2/20 0.47
SIGMAR1 Q99720 3/20 0.47
BCHE P06276 1/20 0.45
FAAH O00519 2/20 0.45
DRD3 P35462 2/20 0.45
TACR2 P21452 4/20 0.44
CAPN2 P17655 1/20 0.44
DRD2 P14416 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL3355427 1.00 ACKR3 (0.52) ACKR3CAPN1HRH2HRH1SIGMAR1
SCHEMBL3356191 0.87 ACKR3 (0.51) ACKR3HRH2HRH1TACR2
SCHEMBL3356195 0.87 ACKR3 (0.51) ACKR3HRH2HRH1TACR2
SCHEMBL13496161 0.83 CAPN1 (0.55) ACKR3CAPN1CAPN2
SCHEMBL3355440 0.78 UTS2R (0.39) CAPN1HRH2HRH1FAAHDRD3
SCHEMBL3360397 0.78 ACKR3 (0.53) ACKR3CAPN1SIGMAR1CAPN2
SCHEMBL3360393 0.78 ACKR3 (0.53) ACKR3CAPN1SIGMAR1CAPN2
SCHEMBL13496112 0.77 P2RX7 (0.54) ACKR3TACR2
SCHEMBL3361016 0.77 ACKR3 (0.46) ACKR3CAPN1HRH2HRH1SIGMAR1
SCHEMBL24838800 0.76 EPHX2 (0.45) ACKR3

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 2018/4885CAPN1 207/4885HRH2 4049/4885

“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.