SCHEMBL4871658

SCHEMBL4871658

CCC1(C(=O)NCCN(O)C(=O)NCC2CCCN(C(=O)OC(C)(C)C)C2)C=CC(c2ccccc2)C=C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.47
KDM1A O60341 1/20 0.42
HTR6 P50406 7/20 0.41
BCHE P06276 4/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
USP30 Q70CQ3 1/20 0.39
METTL3 Q86U44 1/20 0.39
NAMPT P43490 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
CYP2C9 P11712 1/20 0.38
KAT7 O95251 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36
IRAK1 P51617 1/20 0.36
TACR1 P25103 1/20 0.36
NPC1L1 Q9UHC9 1/20 0.36

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
SCHEMBL4871664 0.80 ACKR3 (0.48) ACKR3KDM1AHTR6BCHEKDM4E
SCHEMBL401213 0.76 ACKR3 (0.49) ACKR3HTR6BCHEKDM4EPKM
SCHEMBL5870792 0.68 ACKR3 (0.67) ACKR3KDM1AHTR6BCHEKDM4E
SCHEMBL5871116 0.68 ACKR3 (0.67) ACKR3KDM1AHTR6BCHEKDM4E
SCHEMBL4014855 0.68 ACKR3 (0.60) ACKR3KDM1AHTR6BCHEKDM4E
SCHEMBL4013908 0.68 ACKR3 (0.60) ACKR3KDM1AHTR6BCHEKDM4E
SCHEMBL4013905 0.68 ACKR3 (0.60) ACKR3KDM1AHTR6BCHEKDM4E
SCHEMBL12722612 0.68 ACKR3 (0.61) ACKR3KDM1AHTR6BCHEKDM4E
SCHEMBL15412301 0.68 ACKR3 (0.56) ACKR3KDM1AHTR6BCHEKDM4E
SCHEMBL1622524 0.68 ACKR3 (0.61) ACKR3KDM1AHTR6BCHEKDM4E

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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS ACKR3 4427/4885KDM1A 4512/4885HTR6 4627/4885

“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.