SCHEMBL3759047

SCHEMBL3759047

O=C1OCC(c2ccccc2)N1C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
IDH1 O75874 8/20 0.39
NSD3 Q9BZ95 1/20 0.39
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AVPR1A P37288 1/20 0.37
HTR6 P50406 1/20 0.35
BRD4 O60885 2/20 0.35

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
SCHEMBL6498015 1.00 SLC18A3 (0.42) SLC18A3SIGMAR1IDH1NSD3HPGD
SCHEMBL3759045 1.00 SLC18A3 (0.42) SLC18A3SIGMAR1IDH1NSD3HPGD
SCHEMBL4598376 0.84 HTR2C (0.50) NSD3KMT2A
SCHEMBL4598369 0.84 HTR2C (0.50) NSD3KMT2A
SCHEMBL4597972 0.84 HTR6 (0.41) SIGMAR1HPGDHTR6
SCHEMBL4597968 0.84 HTR6 (0.41) SIGMAR1HPGDHTR6
SCHEMBL4597196 0.82 SLC18A3 (0.42) SLC18A3SIGMAR1NSD3HPGDKMT2A
SCHEMBL4597202 0.82 SLC18A3 (0.42) SLC18A3SIGMAR1NSD3HPGDKMT2A
SCHEMBL4552097 0.82 CCR5 (0.41) AVPR1A
SCHEMBL4598234 0.81 GABRA1 (0.36) KMT2A

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
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
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 (3 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 SLC18A3 993/4885SIGMAR1 890/4885IDH1 3632/4885
US-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 SLC18A3 1545/4885SIGMAR1 1177/4885IDH1 3708/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 SLC18A3 993/4885SIGMAR1 890/4885IDH1 3632/4885

“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.