SCHEMBL4065807

SCHEMBL4065807

Nc1ccc(CNC2CCCc3cccnc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.68
HDAC6 Q9UBN7 2/20 0.68
CXCR4 P61073 10/20 0.48
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 4/20 0.41
CYP2D6 P10635 4/20 0.41
ALDH1A1 P00352 1/20 0.40
ADORA2A P29274 1/20 0.40
GRIN2B Q13224 1/20 0.38
SCN1A P35498 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN8A Q9UQD0 1/20 0.38

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
SCHEMBL13909820 0.93 HDAC1 (0.76) HDAC1HDAC6CXCR4KDM4ECYP3A4
SCHEMBL21055028 0.90 HDAC1 (0.68) HDAC1HDAC6CXCR4KDM4ECYP3A4
SCHEMBL4887341 0.88 HDAC1 (0.69) HDAC1HDAC6CXCR4KDM4ECYP3A4
SCHEMBL4562865 0.88 HDAC1 (0.69) HDAC1HDAC6CXCR4KDM4ECYP3A4
SCHEMBL5575215 0.87 HDAC1 (0.65) HDAC1HDAC6CXCR4KDM4ECYP3A4
SCHEMBL4065804 0.84 HDAC1 (0.78) HDAC1HDAC6CXCR4KDM4ECYP3A4
SCHEMBL4070374 0.84 HDAC1 (0.64) HDAC1HDAC6CXCR4KDM4ECYP3A4
SCHEMBL14037709 0.84 HDAC1 (0.64) HDAC1HDAC6CXCR4KDM4ECYP3A4
SCHEMBL31380423 0.84 HDAC1 (0.64) HDAC1HDAC6CXCR4KDM4ECYP3A4
SCHEMBL4066161 0.83 HDAC1 (0.63) HDAC1HDAC6CXCR4KDM4ECYP3A4

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-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US claimed
EP-1317443-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-01-14 EP disclosed
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US disclosed
US-7312234-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2007-12-25 US disclosed
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2005-02-03 US disclosed
US-6835731-B2 Viricides; antiinflammatory agents; antiallergens; antiarthritic agents ANORMED, INC. (CA) 2004-12-28 US disclosed
EP-1317443-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20020147192-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2002-10-10 US disclosed
WO-2002022599-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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-20020147192-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 HDAC1 1482/4885HDAC6 1162/4885CXCR4 9/4885
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CCR2, CXCR3, ACKR3 HDAC1 1482/4885HDAC6 1162/4885CXCR4 9/4885
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 HDAC1 1482/4885HDAC6 1162/4885CXCR4 9/4885

“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.