SCHEMBL4243366

SCHEMBL4243366

COc1ccc(NC2CCN([C@H](C)CC(N)=O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.46
GFER P55789 2/20 0.46
CCR6 P51684 2/20 0.45
UBE2M P61081 2/20 0.43
DCUN1D1 Q96GG9 2/20 0.43
EPHX2 P34913 1/20 0.43
DRD3 P35462 1/20 0.43
PAK1 Q13153 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4236025 1.00 ALDH1A1 (0.53) ALDH1A1MAPTGFERCCR6UBE2M
SCHEMBL4238867 0.88 MAPT (0.62) ALDH1A1MAPT
SCHEMBL4242736 0.86 EPHX2 (0.49) MAPTUBE2MDCUN1D1EPHX2KMT2A
SCHEMBL4247940 0.85 POLB (0.52) ALDH1A1MAPTUBE2MDCUN1D1EPHX2
SCHEMBL4240584 0.85 CCR5 (0.42) ALDH1A1MAPTUBE2MDCUN1D1EPHX2
SCHEMBL4244419 0.84 ALDH1A1 (0.42) ALDH1A1MAPT
SCHEMBL4244477 0.82 EPHX2 (0.49) UBE2MDCUN1D1EPHX2
SCHEMBL4236028 0.81 ALDH1A1 (0.47) ALDH1A1MAPTGFERCCR6UBE2M
SCHEMBL4240045 0.81 ALDH1A1 (0.47) ALDH1A1MAPTGFERCCR6UBE2M
SCHEMBL4240444 0.80 MAPT (0.38) ALDH1A1MAPTGFER

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 ALDH1A1 3358/4885MAPT 3843/4885GFER 4200/4885

“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.