SCHEMBL4686792

SCHEMBL4686792

C=CCN1CCN(c2ccc(NS(=O)(=O)c3ccc(C4CC4)cc3)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
GAA P10253 5/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.42
MLNR O43193 4/20 0.41
ALOX12 P18054 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
ATM Q13315 1/20 0.40
TRIM24 O15164 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
DRD3 P35462 2/20 0.38
DRD2 P14416 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP2C9 P11712 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
SCHEMBL15061215 0.88 KMT2A (0.55) KMT2AGAAMEN1KDM4ESMN1; SMN2
SCHEMBL4693828 0.87 KMT2A (0.54) KMT2AGAAMEN1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL4686782 0.87 KMT2A (0.54) KMT2AGAAMEN1KDM4ESMN1; SMN2
SCHEMBL15061266 0.87 KMT2A (0.69) KMT2AGAAMEN1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL4690963 0.86 KMT2A (0.53) KMT2AGAAMEN1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL4687557 0.86 KMT2A (0.68) KMT2AGAAMEN1KDM4ESMN1; SMN2
SCHEMBL15061197 0.85 KMT2A (0.55) KMT2AGAAMEN1KDM4ELMNA
SCHEMBL15061291 0.85 KMT2A (0.53) KMT2AGAAMEN1KDM4ESMN1; SMN2
SCHEMBL4686814 0.84 KMT2A (0.57) KMT2AGAAMEN1KDM4ESMN1; SMN2
SCHEMBL4689824 0.84 GAA (0.56) KMT2AGAAMEN1KDM4ESMN1; SMN2

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.