SCHEMBL4689876

SCHEMBL4689876

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
UCHL1 P09936 1/20 0.43
KCNH2 Q12809 3/20 0.42
HRH3 Q9Y5N1 3/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR119 Q8TDV5 2/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL4689873 1.00 ALDH1A1 (0.50) ALDH1A1KMT2AL3MBTL1UCHL1KCNH2
SCHEMBL4690041 0.89 HTR6 (0.42) ALDH1A1KMT2AKCNH2MAPT
SCHEMBL4690045 0.89 HTR6 (0.42) ALDH1A1KMT2AKCNH2MAPT
SCHEMBL4687750 0.89 KMT2A (0.39) ALDH1A1KMT2AKCNH2HRH3MAPT
SCHEMBL4687760 0.89 KMT2A (0.39) ALDH1A1KMT2AKCNH2HRH3MAPT
SCHEMBL4690875 0.88 KMT2A (0.53) ALDH1A1KMT2AL3MBTL1UCHL1KCNH2
SCHEMBL4690871 0.88 KMT2A (0.53) ALDH1A1KMT2AL3MBTL1UCHL1KCNH2
SCHEMBL4690178 0.81 DRD2 (0.44) ALDH1A1KMT2AKCNH2MAPTLMNA
SCHEMBL4690184 0.81 DRD2 (0.44) ALDH1A1KMT2AKCNH2MAPTLMNA
Hydrochloric Acid SCHEMBL27635996 0.80 DRD2 (0.43) ALDH1A1KMT2AKCNH2MAPTLMNA

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 ALDH1A1 1724/4885KMT2A 4228/4885L3MBTL1 3696/4885
US-20070054918-A1 N-[(piperazinyl)hetary]arylsulfonamide compounds with affinity for the dopamine d3 receptor PTGDR, TACR1, TACR2 ALDH1A1 1775/4885KMT2A 4198/4885L3MBTL1 3461/4885
US-20060160809-A1 N-[(piperazinyl)hetaryl]arylsulfonamide compounds CBR3, CNR2, CNR1 ALDH1A1 1505/4885KMT2A 4399/4885L3MBTL1 3254/4885

“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.