SCHEMBL3360247

SCHEMBL3360247

CC(C)(C)OC(=O)N1CCN(CCCNC(=O)C(N)Cc2ccc(O)cc2)CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.49
OPRL1 P41146 2/20 0.45
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3360242 1.00 ACKR3 (0.49) ACKR3OPRL1HRH2HRH1SIGMAR1
SCHEMBL5676544 0.85 ACKR3 (0.53) ACKR3OPRL1SIGMAR1ALDH1A1LMNA
SCHEMBL5676548 0.85 ACKR3 (0.53) ACKR3OPRL1SIGMAR1ALDH1A1LMNA
SCHEMBL3356191 0.81 ACKR3 (0.51) ACKR3HRH2HRH1
SCHEMBL3356195 0.81 ACKR3 (0.51) ACKR3HRH2HRH1
SCHEMBL13496112 0.81 P2RX7 (0.54) ACKR3
SCHEMBL3361016 0.80 ACKR3 (0.46) ACKR3HRH2HRH1SIGMAR1ALDH1A1
SCHEMBL7130405 0.80 HDAC8 (0.54) HRH2HRH1HTTSMN1; SMN2
SCHEMBL12152878 0.79 CTSS (0.51)
SCHEMBL2850833 0.76 KDM1A (0.48) ACKR3SIGMAR1ALDH1A1GAA

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 2018/4885OPRL1 4258/4885HRH2 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.