SCHEMBL4689977

SCHEMBL4689977

C=CCN1CCN(c2ncc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 3/20 0.41
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CASP1 P29466 1/20 0.38
CASP4 P49662 1/20 0.38
CASP5 P51878 1/20 0.38
ATM Q13315 1/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CTSK P43235 1/20 0.37
CYP1A2 P05177 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
SCHEMBL4689998 0.82 MAPT (0.63) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL4689782 0.77 BCL2L1 (0.41) MAPTALDH1A1LMNACASP1CYP1A2
SCHEMBL4966461 0.76 MAPT (0.62) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL30136676 0.76 MAPT (0.57) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3567484 0.75 SIRT6 (0.56) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4690095 0.75 MAPT (0.63) MAPTPOLBSMN1; SMN2CTSK
SCHEMBL6706025 0.75 ALDH1A1 (0.71) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL26633298 0.75 MAPT (0.63) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL82914 0.72 DHFR (0.38) MAPTPOLBCASP1SMN1; SMN2CYP1A2
SCHEMBL3386200 0.72 ALDH1A1 (0.65) MAPTALDH1A1MEN1KMT2APOLB

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 403/4885NPBWR1 1129/4885
US-20110294817-A1 N-[PIPERAZINYL HETARYL]ARYLSUFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR DRD2, DRD3, TACR1 MAPT 4633/4885ALDH1A1 1724/4885NPBWR1 212/4885
US-20070054918-A1 N-[(piperazinyl)hetary]arylsulfonamide compounds with affinity for the dopamine d3 receptor PTGDR, TACR1, TACR2 MAPT 4631/4885ALDH1A1 1775/4885NPBWR1 278/4885
US-20060160809-A1 N-[(piperazinyl)hetaryl]arylsulfonamide compounds CBR3, CNR2, CNR1 MAPT 4677/4885ALDH1A1 1505/4885NPBWR1 283/4885

“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.