SCHEMBL2783219

SCHEMBL2783219

CCN1CCC(c2cccc(C#N)c2N)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.45
DRD3 P35462 3/20 0.43
HTR6 P50406 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
DRD2 P14416 4/20 0.41
SLC6A4 P31645 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
USP30 Q70CQ3 1/20 0.40
KDM2B Q8NHM5 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
OPRL1 P41146 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2781908 0.89 DRD2 (0.54) DRD4DRD3HTR6HRH3DRD2
SCHEMBL14163184 0.85 DRD4 (0.54) DRD4DRD3HTR6HRH3DRD2
SCHEMBL3759922 0.84 DRD4 (0.48) DRD4DRD3HTR6HRH3DRD2
SCHEMBL2783316 0.84 DRD4 (0.46) DRD4DRD3HTR6HRH3DRD2
SCHEMBL3772743 0.83 NOS3 (0.46) DRD4DRD3HTR6HRH3DRD2
SCHEMBL2783029 0.83 DRD4 (0.45) DRD4DRD3HTR6HRH3DRD2
SCHEMBL2781201 0.83 DRD4 (0.47) DRD4DRD3HTR6HRH3DRD2
SCHEMBL2785322 0.83 DRD2 (0.42) DRD4DRD3HTR6DRD2SLC6A4
SCHEMBL2783356 0.83 DRD2 (0.48) DRD4DRD3DRD2USP30KDM4E
SCHEMBL22979946 0.82 MPO (0.40) DRD4DRD2SLC6A4USP30KDM4E

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 13 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
EP-1773772-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-18 EP claimed
WO-2005121087-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO 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 DRD4 2/4885DRD3 4/4885HTR6 95/4885
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 DRD4 2/4885DRD3 4/4885HTR6 109/4885

“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.