SCHEMBL5378349

SCHEMBL5378349

O=C(O)N(Cc1ccccc1)[C@@H]1CCCC[C@H]1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.48
SLC18A3 Q16572 1/20 0.47
AGER Q15109 3/20 0.46
MTNR1A P48039 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
OPRM1 P35372 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL21359110 0.91 CTSD (0.50) CTSDSLC18A3AGERMTNR1AMEN1
SCHEMBL23144533 0.88 CTSD (0.46) CTSDSLC18A3AGERMTNR1AMEN1
SCHEMBL23144530 0.88 CTSD (0.46) CTSDSLC18A3AGERMTNR1AMEN1
SCHEMBL23144534 0.88 CTSD (0.46) CTSDSLC18A3AGERMTNR1AMEN1
SCHEMBL2521503 0.80 CTSD (0.49) CTSDSLC18A3AGERMTNR1AMEN1
SCHEMBL14018440 0.80 SLC18A3 (0.68) SLC18A3OPRM1SIGMAR1
SCHEMBL13452424 0.80 SLC18A3 (0.68) SLC18A3OPRM1SIGMAR1
SCHEMBL2521501 0.80 CTSD (0.49) CTSDSLC18A3AGERMTNR1AMEN1
SCHEMBL2495894 0.78 SLC18A3 (0.60) CTSDSLC18A3AGERMTNR1AMEN1
SCHEMBL5659950 0.78 OPRK1 (0.39)

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-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 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-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity ACKR3, CCL11, GPR17 CTSD 1348/4885SLC18A3 498/4885AGER 294/4885

“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.