SCHEMBL4693828

SCHEMBL4693828

C=CCN1CCN(c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
GAA P10253 5/20 0.52
MEN1 O00255 2/20 0.52
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.47
MLNR O43193 4/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2C9 P11712 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX12 P18054 1/20 0.42
DRD3 P35462 2/20 0.40
HTR6 P50406 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR1D P28221 1/20 0.40

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
Hydrochloric Acid SCHEMBL4690963 0.99 KMT2A (0.53) KMT2AGAAMEN1KDM4EMAPT
SCHEMBL15061215 0.90 KMT2A (0.55) KMT2AGAAMEN1KDM4EMAPT
Hydrochloric Acid SCHEMBL4686782 0.89 KMT2A (0.54) KMT2AGAAMEN1KDM4EMAPT
SCHEMBL15061266 0.89 KMT2A (0.69) KMT2AGAAMEN1KDM4EMAPT
Hydrochloric Acid SCHEMBL4687557 0.88 KMT2A (0.68) KMT2AGAAMEN1KDM4EMAPT
SCHEMBL15061197 0.88 KMT2A (0.55) KMT2AGAAMEN1KDM4EMAPT
SCHEMBL15061291 0.88 KMT2A (0.53) KMT2AGAAMEN1KDM4EMAPT
SCHEMBL4686792 0.87 KMT2A (0.52) KMT2AGAAMEN1KDM4EMAPT
SCHEMBL4686814 0.87 KMT2A (0.57) KMT2AGAAMEN1KDM4EMAPT
SCHEMBL4689824 0.87 GAA (0.56) KMT2AGAAMEN1KDM4EMAPT

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 KMT2A 3994/4885GAA 1351/4885MEN1 3758/4885
US-20110294817-A1 N-[PIPERAZINYL HETARYL]ARYLSUFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR DRD2, DRD3, TACR1 KMT2A 4228/4885GAA 3322/4885MEN1 4535/4885
US-20070054918-A1 N-[(piperazinyl)hetary]arylsulfonamide compounds with affinity for the dopamine d3 receptor PTGDR, TACR1, TACR2 KMT2A 4198/4885GAA 3515/4885MEN1 4241/4885
US-20060160809-A1 N-[(piperazinyl)hetaryl]arylsulfonamide compounds CBR3, CNR2, CNR1 KMT2A 4399/4885GAA 3265/4885MEN1 4319/4885

“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.