SCHEMBL2781997

SCHEMBL2781997

CCCN1CCN(c2cccc(Cl)c2C#N)CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.68
DRD3 P35462 5/20 0.68
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
LMNA P02545 2/20 0.55
GAA P10253 2/20 0.52
HTR2A P28223 3/20 0.48
DRD4 P21917 2/20 0.48
HTR1A P08908 2/20 0.48
HTR2C P28335 1/20 0.48
OPRM1 P35372 1/20 0.47
HTR7 P34969 1/20 0.46
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL2781729 0.89 KDM4E (0.68) DRD2DRD3KDM4EALDH1A1L3MBTL1
SCHEMBL2783736 0.85 KDM4E (0.59) DRD2DRD3KDM4EALDH1A1L3MBTL1
SCHEMBL2781857 0.84 DRD2 (0.54) DRD2DRD3KDM4EALDH1A1L3MBTL1
SCHEMBL14355754 0.84 KDM4E (0.73) DRD2DRD3KDM4EALDH1A1L3MBTL1
SCHEMBL2781319 0.83 KDM4E (0.59) DRD2DRD3KDM4EALDH1A1LMNA
SCHEMBL2781740 0.81 DRD2 (0.73) DRD2DRD3KDM4ELMNAHTR2A
SCHEMBL2782258 0.81 DRD2 (1.00) DRD2DRD3KDM4ELMNAHTR2A
SCHEMBL2784308 0.81 DRD2 (0.68) DRD2DRD3KDM4ELMNAGAA
SCHEMBL2783112 0.80 DRD2 (0.49) DRD2DRD3LMNAGAAHTR2A
SCHEMBL2783222 0.80 DRD2 (0.75) DRD2DRD3KDM4EALDH1A1LMNA

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 8 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
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION SANIONA AB (DK) 2007-06-28 US claimed
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
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 1/4885DRD3 4/4885KDM4E 1510/4885
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 DRD2 1/4885DRD3 4/4885KDM4E 1739/4885

“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.