SCHEMBL4597196

SCHEMBL4597196

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KMT2A Q03164 3/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR6 P50406 1/20 0.36
BRD4 O60885 1/20 0.34
MEN1 O00255 2/20 0.34
HRH1 P35367 2/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
KDM1A O60341 3/20 0.34
HTR2A P28223 2/20 0.34
CISD1 Q9NZ45 1/20 0.34
SLC6A2 P23975 1/20 0.34
MAOB P27338 1/20 0.34
HTR1B P28222 1/20 0.34

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
SCHEMBL4597202 1.00 SLC18A3 (0.42) SLC18A3SIGMAR1KMT2AHPGDSMN1; SMN2
SCHEMBL6498015 0.82 SLC18A3 (0.42) SLC18A3SIGMAR1KMT2AHPGDSMN1; SMN2
SCHEMBL3759047 0.82 SLC18A3 (0.42) SLC18A3SIGMAR1KMT2AHPGDSMN1; SMN2
SCHEMBL3759045 0.82 SLC18A3 (0.42) SLC18A3SIGMAR1KMT2AHPGDSMN1; SMN2
SCHEMBL4598197 0.78 SLC18A3 (0.38) SLC18A3SIGMAR1KMT2AHPGDSMN1; SMN2
SCHEMBL4598200 0.78 SLC18A3 (0.38) SLC18A3SIGMAR1KMT2AHPGDSMN1; SMN2
SCHEMBL4598206 0.78 SLC18A3 (0.38) SLC18A3SIGMAR1KMT2AHPGDSMN1; SMN2
SCHEMBL4596729 0.76 SLC18A3 (0.36) SLC18A3SIGMAR1KMT2AHPGDSMN1; SMN2
SCHEMBL4596732 0.76 SLC18A3 (0.36) SLC18A3SIGMAR1KMT2AHPGDSMN1; SMN2
SCHEMBL3758243 0.72 CCR5 (0.37)

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 6 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
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US 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
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 1177/4885KMT2A 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.