SCHEMBL2783216

SCHEMBL2783216

COCCN1CCN(c2cccc(C#N)c2C#N)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.49
HTR2A P28223 5/20 0.49
HRH1 P35367 1/20 0.49
DRD4 P21917 4/20 0.47
HTR7 P34969 5/20 0.47
HTR1A P08908 5/20 0.47
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DRD3 P35462 3/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
ADRA1D P25100 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL2785582 0.87 DRD2 (0.48) DRD2HTR2ADRD4HTR7HTR1A
SCHEMBL2783359 0.86 DRD2 (0.50) DRD2HTR2AHRH1DRD4HTR7
SCHEMBL2781255 0.86 DRD2 (0.47) DRD2HTR2ADRD4HTR7HTR1A
SCHEMBL2782893 0.86 DRD2 (0.47) DRD2HTR2ADRD4HTR7HTR1A
SCHEMBL2783736 0.86 KDM4E (0.59) DRD2HTR2AHRH1DRD4HTR7
SCHEMBL2783546 0.86 DRD2 (0.67) DRD2HTR2AHRH1KDM4EALDH1A1
SCHEMBL2782191 0.86 DRD2 (0.54) DRD2HTR2ADRD4HTR7HTR1A
SCHEMBL2781857 0.85 DRD2 (0.54) DRD2HTR2ADRD4HTR7HTR1A
SCHEMBL2783451 0.83 DRD2 (0.48) DRD2HTR2AHRH1DRD4HTR7
SCHEMBL2785240 0.82 KDM4E (0.49) DRD2HTR2AHRH1DRD4KDM4E

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.