SCHEMBL4690045

SCHEMBL4690045

CCCN1CCN(c2ncc(NS(=O)(=O)c3ccc(C(C)C)cc3)cn2)CC1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.42
KMT2A Q03164 1/20 0.41
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
KCNH2 Q12809 3/20 0.41
SIGMAR1 Q99720 2/20 0.40
KDM2B Q8NHM5 3/20 0.39
ALDH1A1 P00352 1/20 0.39
TRIM24 O15164 1/20 0.39
BRD1 O95696 1/20 0.39
BRPF1 P55201 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
SLC2A1 P11166 1/20 0.38
POLB P06746 1/20 0.37
PANK3 Q9H999 1/20 0.36

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
SCHEMBL4690041 1.00 HTR6 (0.42) HTR6KMT2ADRD2DRD3KCNH2
SCHEMBL4690178 0.92 DRD2 (0.44) HTR6KMT2ADRD2DRD3KCNH2
SCHEMBL4690184 0.92 DRD2 (0.44) HTR6KMT2ADRD2DRD3KCNH2
Hydrochloric Acid SCHEMBL27635996 0.91 DRD2 (0.43) HTR6KMT2ADRD2DRD3KCNH2
SCHEMBL4689876 0.89 ALDH1A1 (0.50) KMT2AKCNH2ALDH1A1MAPT
SCHEMBL4689873 0.89 ALDH1A1 (0.50) KMT2AKCNH2ALDH1A1MAPT
SCHEMBL15061389 0.89 KMT2A (0.53) HTR6KMT2ADRD2DRD3KCNH2
SCHEMBL4688586 0.89 KMT2A (0.53) HTR6KMT2ADRD2DRD3KCNH2
Hydrochloric Acid SCHEMBL4692989 0.88 KMT2A (0.52) HTR6KMT2ADRD2DRD3KCNH2
SCHEMBL4689843 0.87 DRD2 (0.47) HTR6KMT2ADRD2DRD3KCNH2

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 151/4885KMT2A 4228/4885DRD2 1/4885
US-20070054918-A1 N-[(piperazinyl)hetary]arylsulfonamide compounds with affinity for the dopamine d3 receptor PTGDR, TACR1, TACR2 HTR6 105/4885KMT2A 4198/4885DRD2 5/4885
US-20060160809-A1 N-[(piperazinyl)hetaryl]arylsulfonamide compounds CBR3, CNR2, CNR1 HTR6 171/4885KMT2A 4399/4885DRD2 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.