SCHEMBL4596729

SCHEMBL4596729

CON=C1OC[C@@H](c2ccccc2)N1C1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR2C P28335 6/20 0.34
BRD4 O60885 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
NSD3 Q9BZ95 1/20 0.32
KHK P50053 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HRH1 P35367 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL4596732 1.00 SLC18A3 (0.36) SLC18A3SIGMAR1HTR2CBRD4SMN1; SMN2
SCHEMBL4598197 0.82 SLC18A3 (0.38) SLC18A3SIGMAR1HTR2CBRD4SMN1; SMN2
SCHEMBL4598200 0.82 SLC18A3 (0.38) SLC18A3SIGMAR1HTR2CBRD4SMN1; SMN2
SCHEMBL4598206 0.82 SLC18A3 (0.38) SLC18A3SIGMAR1HTR2CBRD4SMN1; SMN2
SCHEMBL4597466 0.76 GSK3B (0.42) BRD4SMN1; SMN2MAPT
SCHEMBL4597462 0.76 GSK3B (0.42) BRD4SMN1; SMN2MAPT
SCHEMBL4597461 0.76 GSK3B (0.42) BRD4SMN1; SMN2MAPT
SCHEMBL6498015 0.76 SLC18A3 (0.42) SLC18A3SIGMAR1BRD4SMN1; SMN2HPGD
SCHEMBL3759045 0.76 SLC18A3 (0.42) SLC18A3SIGMAR1BRD4SMN1; SMN2HPGD
SCHEMBL4597196 0.76 SLC18A3 (0.42) SLC18A3SIGMAR1HTR2CBRD4SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 SLC18A3 1545/4885SIGMAR1 1177/4885HTR2C 2045/4885

“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.