SCHEMBL3356191

SCHEMBL3356191

CC(C)(C)OC(=O)N1CCN(CCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Oc2ccccc2)CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.51
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
TACR2 P21452 14/20 0.49
AKT1 P31749 1/20 0.48
HRH2 P25021 1/20 0.46
HRH1 P35367 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
SCHEMBL3356195 1.00 ACKR3 (0.51) ACKR3CTSSCTSKTACR2AKT1
SCHEMBL13496112 0.90 P2RX7 (0.54) ACKR3CTSSCTSKTACR2AKT1
SCHEMBL3355427 0.87 ACKR3 (0.52) ACKR3TACR2HRH2HRH1
SCHEMBL3355433 0.87 ACKR3 (0.52) ACKR3TACR2HRH2HRH1
SCHEMBL3360247 0.81 ACKR3 (0.49) ACKR3HRH2HRH1
SCHEMBL3360242 0.81 ACKR3 (0.49) ACKR3HRH2HRH1
SCHEMBL3356199 0.80 TACR2 (0.42) TACR2
SCHEMBL6277318 0.79 AKT1 (0.66) CTSSCTSKTACR2AKT1
SCHEMBL5411824 0.79 AKT1 (0.66) CTSSCTSKTACR2AKT1
SCHEMBL3360393 0.76 ACKR3 (0.53) ACKR3CTSK

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 2 patents. 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
WO-2008051017-A1 A CLEAVAGE AGENT SELECTIVELY ACTING ON SOLUBLE ASSEMBLY OF AMYLOIDOGENIC PEPTIDE OR PROTEIN SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2008-05-02 WO 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 2018/4885CTSS 174/4885CTSK 244/4885

“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.