SCHEMBL2784464

SCHEMBL2784464

COCCN1CCN(c2cccc(S(C)(=O)=O)c2C#N)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.52
HTR2A P28223 2/20 0.45
HRH1 P35367 1/20 0.45
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
CTSS P25774 3/20 0.41
EED O75530 1/20 0.38
HTR1A P08908 2/20 0.37
DRD4 P21917 1/20 0.37
HTR7 P34969 2/20 0.37
HTR6 P50406 1/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KDM2B Q8NHM5 1/20 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
SCHEMBL5503767 0.96 DRD2 (0.51) DRD2HTR2AHRH1ADRA1DADRA1A
SCHEMBL2780967 0.87 DRD2 (0.70) DRD2HTR2AADRA1DADRA1AADRA1B
SCHEMBL2781597 0.87 DRD2 (0.44) DRD2HTR2AHRH1CTSSHTR1A
SCHEMBL2783446 0.84 DRD2 (0.43) DRD2HTR2AHRH1HTR1ADRD4
SCHEMBL2783663 0.84 DRD2 (0.54) DRD2HTR2AHRH1ADRA1DADRA1A
SCHEMBL2783238 0.83 DRD2 (0.56) DRD2HTR2AADRA1DADRA1AADRA1B
SCHEMBL2782910 0.82 DRD2 (0.55) DRD2HTR2AADRA1DADRA1AADRA1B
SCHEMBL2782534 0.82 DRD2 (0.55) DRD2ADRA1DADRA1AADRA1BEED
SCHEMBL2783216 0.82 DRD2 (0.49) DRD2HTR2AHRH1ADRA1DADRA1A
SCHEMBL2783546 0.81 DRD2 (0.67) DRD2HTR2AHRH1KDM4EALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256163-A1 DISUBSTITUTED PHENYLPIPERDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION SANIONA AB (DK) 2010-10-07 US claimed
EP-2204363-A1 New disubstituted phenylpiperidines/piperazines as modulators of dopamine neurotransmission NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-07-07 EP claimed
CN-1997630-A New disubstituted phenylpiperidines as modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB (SE) 2007-07-11 CN claimed
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION SANIONA AB (DK) 2007-06-28 US claimed
CN-1997630-B New disubstituted phenylpiperidines as modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB 2013-01-30 CN disclosed
US-8314126-B2 Disubstituted phenylpiperdines/piperazines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-11-20 US disclosed
US-20100256163-A1 DISUBSTITUTED PHENYLPIPERDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION SANIONA AB (DK) 2010-10-07 US disclosed
US-7763639-B2 Disubstituted phenylpiperidines/piperazines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-07-27 US disclosed
EP-2204363-A1 New disubstituted phenylpiperidines/piperazines as modulators of dopamine neurotransmission NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-07-07 EP disclosed
CN-1997630-A New disubstituted phenylpiperidines as modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB (SE) 2007-07-11 CN disclosed
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION SANIONA AB (DK) 2007-06-28 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 (2 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-20100256163-A1 DISUBSTITUTED PHENYLPIPERDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 DRD2 1/4885HTR2A 16/4885HRH1 129/4885
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 DRD2 1/4885HTR2A 22/4885HRH1 169/4885

“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.