SCHEMBL4688575

SCHEMBL4688575

C=CCN1CCN(c2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ncn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.45
HTR6 P50406 1/20 0.38
CYP2C19 P33261 1/20 0.38
TRIM24 O15164 1/20 0.37
BRD1 O95696 1/20 0.37
BRPF1 P55201 1/20 0.37
KIT P10721 1/20 0.36
KDM2B Q8NHM5 3/20 0.36
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
GFER P55789 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL15061277 0.83 DRD2 (0.44) DRD2DRD3KCNH2HTR6TRIM24
SCHEMBL15061187 0.82 DRD2 (0.48) DRD2DRD3KCNH2HTR6KDM2B
Hydrochloric Acid SCHEMBL4690120 0.82 DRD2 (0.43) DRD2DRD3KCNH2HTR6TRIM24
SCHEMBL4686814 0.81 KMT2A (0.57) DRD2DRD3KCNH2HTR6TRIM24
Hydrochloric Acid SCHEMBL4691812 0.81 DRD2 (0.48) DRD2DRD3KCNH2HTR6KDM2B
SCHEMBL4686850 0.79 DRD2 (0.52) DRD2DRD3KCNH2HTR6TRIM24
SCHEMBL4689158 0.71 MEN1 (0.41) DRD2DRD3KCNH2KDM2BKMT2A
SCHEMBL4686846 0.71 CYP2C19 (0.51) CYP2C19TRIM24BRD1BRPF1KIT
Hydrochloric Acid SCHEMBL1959775 0.71 DRD2 (0.54) DRD2DRD3KCNH2HTR6CYP2C19
SCHEMBL15061266 0.69 KMT2A (0.69) DRD2KMT2ASMN1; SMN2TP53KDM4E

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 10 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
US-20040204422-A1 N-[(Piperazinyl)hetaryl]arylsulfonamide compounds ABBOTT GMBH & CO. KG. 2004-10-14 US 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 (4 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-20040204422-A1 N-[(Piperazinyl)hetaryl]arylsulfonamide compounds CBR1, CBR3, CNR2 DRD2 1066/4885DRD3 1419/4885KCNH2 259/4885
US-20110294817-A1 N-[PIPERAZINYL HETARYL]ARYLSUFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR DRD2, DRD3, TACR1 DRD2 1/4885DRD3 2/4885KCNH2 289/4885
US-20070054918-A1 N-[(piperazinyl)hetary]arylsulfonamide compounds with affinity for the dopamine d3 receptor PTGDR, TACR1, TACR2 DRD2 5/4885DRD3 6/4885KCNH2 422/4885
US-20060160809-A1 N-[(piperazinyl)hetaryl]arylsulfonamide compounds CBR3, CNR2, CNR1 DRD2 9/4885DRD3 10/4885KCNH2 274/4885

“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.