SCHEMBL4247028

SCHEMBL4247028

CC(CCN)N1CCC(c2ccccn2)CC1.COc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.42
DRD2 P14416 4/20 0.42
DRD3 P35462 2/20 0.42
ALDH1A1 P00352 1/20 0.38
OPRM1 P35372 1/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
DPP4 P27487 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AVPR1A P37288 1/20 0.36
KCNH2 Q12809 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
SCHEMBL6965093 0.88 OPRM1 (0.42) DRD4DRD2DRD3ALDH1A1OPRM1
SCHEMBL6198248 0.74 DRD4 (0.42) DRD4DRD2DRD3
SCHEMBL4240045 0.72 ALDH1A1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL4236028 0.72 ALDH1A1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL16218248 0.71 CHRM2 (0.47) DRD4DRD2DRD3ALDH1A1OPRM1
SCHEMBL6961089 0.70 OPRM1 (0.42) DRD4DRD2DRD3OPRM1
SCHEMBL2737376 0.69 KDM5A (0.48) DRD4ALDH1A1OPRM1PDCD1LG2CD274
SCHEMBL7842113 0.68 DRD4 (0.43) DRD4DRD2DRD3OPRM1
SCHEMBL7225193 0.68 DRD4 (0.43) DRD4DRD2DRD3OPRM1
SCHEMBL15755587 0.68 HPGD (0.65) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 DRD4 1681/4885DRD2 1693/4885DRD3 1557/4885

“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.