SCHEMBL4687789

SCHEMBL4687789

C=CCN1CCN(c2ccc(N)nc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.42
SIGMAR1 Q99720 4/20 0.42
MAPT P10636 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CASP1 P29466 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP7 P55210 1/20 0.40
KDM4E B2RXH2 2/20 0.39
RAD52 P43351 2/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 4/20 0.38
HTR2C P28335 4/20 0.38
GCK P35557 2/20 0.38
TRPC6 Q9Y210 2/20 0.37
HTR3E A5X5Y0 2/20 0.36

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
SCHEMBL1722334 0.86 GCK (0.39) TMEM97SIGMAR1MAPTKDM4ERAD52
SCHEMBL30664067 0.81 GAA (0.62) MAPTKDM4ERAD52GAAGFER
SCHEMBL611882 0.81 GAA (0.62) MAPTKDM4ERAD52GAAGFER
SCHEMBL6550226 0.80 MAPT (0.61) TMEM97SIGMAR1MAPTCYP1A2CYP3A4
SCHEMBL19966551 0.79 CYP2D6 (0.45) SIGMAR1MAPTCYP2D6KDM4ERAD52
SCHEMBL1393706 0.78 CYP2D6 (0.41) MAPTCYP2D6KDM4ERAD52GAA
SCHEMBL20332608 0.78 ROCK2 (0.46) MAPTCYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL17108487 0.78 DRD2 (0.54) SIGMAR1MAPTKDM4ERAD52GAA
SCHEMBL27977065 0.78 GCK (0.38) MAPTCYP2D6KDM4ERAD52GAA
SCHEMBL29437380 0.77 PIK3CA (0.42) MAPTKDM4ERAD52GAAGFER

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 TMEM97 1051/4885SIGMAR1 167/4885MAPT 4659/4885
US-20110294817-A1 N-[PIPERAZINYL HETARYL]ARYLSUFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR DRD2, DRD3, TACR1 TMEM97 846/4885SIGMAR1 136/4885MAPT 4633/4885
US-20070054918-A1 N-[(piperazinyl)hetary]arylsulfonamide compounds with affinity for the dopamine d3 receptor PTGDR, TACR1, TACR2 TMEM97 1016/4885SIGMAR1 123/4885MAPT 4631/4885
US-20060160809-A1 N-[(piperazinyl)hetaryl]arylsulfonamide compounds CBR3, CNR2, CNR1 TMEM97 1382/4885SIGMAR1 122/4885MAPT 4677/4885

“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.