SCHEMBL4689998

SCHEMBL4689998

C=CCN1CCN(c2ccc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
ALDH1A1 P00352 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
NPBWR1 P48145 1/20 0.62
MCHR1 Q99705 1/20 0.62
LMNA P02545 1/20 0.62
ALOX12 P18054 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
ATM Q13315 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
HPGD P15428 1/20 0.59
CRBN Q96SW2 3/20 0.52
POLB P06746 1/20 0.47
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PANK3 Q9H999 1/20 0.46
NPY2R P49146 1/20 0.43

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
SCHEMBL1682842 0.82 MAPT (0.68) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL4689977 0.82 MAPT (0.41) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL4689888 0.80 MAPT (0.55) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL31216516 0.79 MAPT (0.63) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL2828726 0.79 MAPT (0.63) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL940256 0.78 MAPT (0.93) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL29739445 0.78 MAPT (0.93) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL238818 0.78 MAPT (1.00) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL6704714 0.78 ALDH1A1 (0.97) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL854731 0.77 MAPT (0.74) MAPTALDH1A1L3MBTL1NPBWR1MCHR1

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 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 MAPT 4659/4885ALDH1A1 403/4885L3MBTL1 3563/4885
US-20110294817-A1 N-[PIPERAZINYL HETARYL]ARYLSUFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR DRD2, DRD3, TACR1 MAPT 4633/4885ALDH1A1 1724/4885L3MBTL1 3696/4885
US-20070054918-A1 N-[(piperazinyl)hetary]arylsulfonamide compounds with affinity for the dopamine d3 receptor PTGDR, TACR1, TACR2 MAPT 4631/4885ALDH1A1 1775/4885L3MBTL1 3461/4885
US-20060160809-A1 N-[(piperazinyl)hetaryl]arylsulfonamide compounds CBR3, CNR2, CNR1 MAPT 4677/4885ALDH1A1 1505/4885L3MBTL1 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.