SCHEMBL4687564

SCHEMBL4687564

CC(C)c1ccc(S(=O)(=O)Nc2cnc(N3CCNCC3)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.46
HSP90AA1 P07900 3/20 0.46
HSP90AB1 P08238 3/20 0.46
TRIM24 O15164 1/20 0.46
BRD1 O95696 1/20 0.46
BRPF1 P55201 1/20 0.46
POLB P06746 1/20 0.44
KIT P10721 1/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
KCNH2 Q12809 2/20 0.43
HTR2A P28223 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL4686763 0.86 KMT2A (0.60) HTR6TRIM24BRD1BRPF1POLB
SCHEMBL4689833 0.84 DRD2 (0.48) HTR6POLBDRD2DRD3KCNH2
SCHEMBL15061259 0.82 KDM2B (0.53) HTR6TRIM24BRD1BRPF1POLB
Hydrochloric Acid SCHEMBL4692959 0.81 KDM2B (0.52) HTR6TRIM24BRD1BRPF1POLB
SCHEMBL3609962 0.81 HTR6 (0.52) HTR6TRIM24BRD1BRPF1POLB
SCHEMBL4686850 0.80 DRD2 (0.52) HTR6TRIM24BRD1BRPF1POLB
Hydrochloric Acid SCHEMBL3609692 0.80 HTR6 (0.51) HTR6TRIM24BRD1BRPF1POLB
SCHEMBL15061210 0.77 NMT1 (0.51) HTR6KCNH2KMT2A
SCHEMBL4690184 0.76 DRD2 (0.44) HTR6TRIM24BRD1BRPF1POLB
SCHEMBL4690178 0.76 DRD2 (0.44) HTR6TRIM24BRD1BRPF1POLB

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-8476275-B2 N-[piperazinyl hetaryl]arylsufonamide compounds with affinity for the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-02 US claimed
US-8476275-B2 N-[piperazinyl hetaryl]arylsufonamide compounds with affinity for the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-02 US disclosed
US-20110294817-A1 N-[PIPERAZINYL HETARYL]ARYLSUFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-12-01 US disclosed
EP-1613596-B1 N-[(PIPERAZINYL)HETARYL]ARYLSULFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2008-03-12 EP disclosed
US-7320979-B2 N-[(piperazinyl)hetaryl]arylsulfonamide compounds ABBOTT GMBH & CO. KG. (DE) 2008-01-22 US disclosed
US-20070054918-A1 N-[(piperazinyl)hetary]arylsulfonamide compounds with affinity for the dopamine d3 receptor ABBOTT GMBH & CO. KG (DE) 2007-03-08 US disclosed
US-20060160809-A1 N-[(piperazinyl)hetaryl]arylsulfonamide compounds ABBOTT GMBH & CO. KG. 2006-07-20 US disclosed
EP-1613596-A1 N-[(PIPERAZINYL)HETARYL]ARYLSULFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2006-01-11 EP disclosed
WO-2004089905-A1 N-[(PIPERAZINYL)HETARYL]ARYLSULFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2004-10-21 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-20110294817-A1 N-[PIPERAZINYL HETARYL]ARYLSUFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR DRD2, DRD3, TACR1 HTR6 151/4885HSP90AA1 2220/4885HSP90AB1 2508/4885
US-20070054918-A1 N-[(piperazinyl)hetary]arylsulfonamide compounds with affinity for the dopamine d3 receptor PTGDR, TACR1, TACR2 HTR6 105/4885HSP90AA1 2473/4885HSP90AB1 2860/4885
US-20060160809-A1 N-[(piperazinyl)hetaryl]arylsulfonamide compounds CBR3, CNR2, CNR1 HTR6 171/4885HSP90AA1 2690/4885HSP90AB1 2943/4885

“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.