SCHEMBL3761293

SCHEMBL3761293

Cc1cccc(CNC2CCN(C(C)CC(N)=O)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.55
BACE1 P56817 2/20 0.55
BCHE P06276 1/20 0.50
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42
EBP Q15125 1/20 0.41
DHCR7 Q9UBM7 1/20 0.41
SSTR1 P30872 1/20 0.41
SSTR4 P31391 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD4 P21917 2/20 0.39
TACR1 P25103 1/20 0.39
CARM1 Q86X55 3/20 0.39
PRMT6 Q96LA8 3/20 0.39
PRMT8 Q9NR22 1/20 0.39

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
SCHEMBL3761298 0.83 ACHE (0.58) ACHEBACE1BCHEUBE2MDCUN1D1
SCHEMBL3758106 0.79 MCHR1 (0.40) MEN1KMT2A
SCHEMBL3762693 0.79 MCHR1 (0.40) MEN1KMT2A
SCHEMBL15587408 0.77 ACHE (0.63) ACHEBACE1BCHESMYD3EBP
SCHEMBL15587419 0.75 ACHE (0.71) ACHEBACE1BCHEEBPDHCR7
SCHEMBL1036268 0.75 ACHE (0.68) ACHEBACE1BCHEEBPDHCR7
SCHEMBL15587415 0.74 ACHE (0.59) ACHEBACE1BCHEMEN1KMT2A
Hydrochloric Acid SCHEMBL12813443 0.73 ACHE (0.67) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL14492271 0.72 ACHE (0.65) ACHEBACE1BCHE
SCHEMBL14492276 0.72 ACHE (0.65) ACHEBACE1BCHE

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
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 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 (2 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 ACHE 4772/4885BACE1 3346/4885BCHE 3643/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 ACHE 4772/4885BACE1 3346/4885BCHE 3643/4885

“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.