SCHEMBL3316286

SCHEMBL3316286

OCc1ccc(CNCc2ccccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.55
ALDH1A1 P00352 3/20 0.55
CHRM2 P08172 1/20 0.53
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CXCR4 P61073 2/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
POLB P06746 1/20 0.46
CA2 P00918 1/20 0.46
ALOX15 P16050 1/20 0.46
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.44
KDM4A O75164 1/20 0.44
KDM4B O94953 1/20 0.44
KDM5C P41229 1/20 0.44
KDM5B Q9UGL1 1/20 0.44

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
SCHEMBL3314110 0.91 L3MBTL1 (0.62) L3MBTL1ALDH1A1CHRM2KDM4ESMN1; SMN2
SCHEMBL29860055 0.91 L3MBTL1 (0.62) L3MBTL1ALDH1A1CHRM2KDM4ESMN1; SMN2
SCHEMBL2947235 0.85 ALDH1A1 (0.63) L3MBTL1ALDH1A1CHRM2KDM4ESMN1; SMN2
SCHEMBL230222 0.83 CHRM2 (0.70) L3MBTL1ALDH1A1CHRM2KDM4ESMN1; SMN2
SCHEMBL29438821 0.83 CHRM2 (0.70) L3MBTL1ALDH1A1CHRM2KDM4ESMN1; SMN2
SCHEMBL3906840 0.83 ALDH1A1 (0.55) L3MBTL1ALDH1A1CHRM2KDM4ESMN1; SMN2
SCHEMBL12963429 0.83 RAB9A (0.57) L3MBTL1ALDH1A1CHRM2KDM4EMEN1
SCHEMBL19416501 0.83 TP53 (0.61) L3MBTL1ALDH1A1CHRM2KDM4ESMN1; SMN2
SCHEMBL8346148 0.83 L3MBTL1 (0.55) L3MBTL1ALDH1A1CHRM2KDM4ESMN1; SMN2
SCHEMBL5892980 0.83 NPC1 (0.55) L3MBTL1ALDH1A1CHRM2KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105915-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2010-04-29 US disclosed
US-7629337-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2009-12-08 US disclosed
US-7183273-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2007-02-27 US disclosed
US-20060264434-A1 Chemokine receptor binding heterocyclic compounds ANORMED INC. (CA) 2006-11-23 US disclosed
EP-1163238-B1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-05-31 EP disclosed
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-25 US disclosed
US-6750348-B1 PROTECTIVE EFFECTS AGAINST INFECTION BY HIV THROUGH BINDING TO CHEMOKINE RECEPTORS, INCLUDING CXCR4 AND CCR5;N-(2-PYRIDINYLMETHYL)-N'-(2-(PHENYLUREIDO)ETHYL)-N'-(5,6,7,8-TETRAHYDRO-8-QUINOLINYL)-1,4-BENZENEDIMETHANAMINE ANORMED, INC. (CA) 2004-06-15 US disclosed
EP-1163238-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2001-12-19 EP disclosed
WO-2000056729-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2000-09-28 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 (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-20060264434-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 L3MBTL1 2574/4885ALDH1A1 1458/4885CHRM2 291/4885
US-20100105915-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CXCR4, CCR5, CXCR3 L3MBTL1 2369/4885ALDH1A1 2412/4885CHRM2 2743/4885
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 L3MBTL1 3240/4885ALDH1A1 1264/4885CHRM2 530/4885

“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.