SCHEMBL4690184

SCHEMBL4690184

CCN1CCN(c2ncc(NS(=O)(=O)c3ccc(C(C)C)cc3)cn2)CC1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
KCNH2 Q12809 3/20 0.44
KDM2B Q8NHM5 3/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR6 P50406 1/20 0.41
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TRIM24 O15164 1/20 0.38
BRD1 O95696 1/20 0.38
BRPF1 P55201 1/20 0.38
PANK3 Q9H999 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC2A1 P11166 1/20 0.37

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
SCHEMBL4690178 1.00 DRD2 (0.44) DRD2DRD3KCNH2KDM2BMAPT
Hydrochloric Acid SCHEMBL27635996 0.99 DRD2 (0.43) DRD2DRD3KCNH2KDM2BMAPT
SCHEMBL4690041 0.92 HTR6 (0.42) DRD2DRD3KCNH2KDM2BMAPT
SCHEMBL4690045 0.92 HTR6 (0.42) DRD2DRD3KCNH2KDM2BMAPT
SCHEMBL4689850 0.89 DRD2 (0.47) DRD2DRD3KCNH2KDM2BMAPT
SCHEMBL4689843 0.89 DRD2 (0.47) DRD2DRD3KCNH2KDM2BMAPT
SCHEMBL15061201 0.88 KMT2A (0.53) DRD2DRD3KCNH2KDM2BMAPT
Hydrochloric Acid SCHEMBL4693057 0.87 KMT2A (0.52) DRD2DRD3KCNH2KDM2BMAPT
SCHEMBL4689833 0.83 DRD2 (0.48) DRD2DRD3KCNH2KDM2BKDM4E
SCHEMBL4688586 0.81 KMT2A (0.53) DRD2DRD3KCNH2KDM2BMAPT

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 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.