SCHEMBL2783702

SCHEMBL2783702

CCN1CCN(c2cccc(C(O)C(F)(F)F)c2C#N)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.41
HTR2A P28223 2/20 0.41
HRH1 P35367 2/20 0.41
DRD3 P35462 4/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.35
CHRNA7 P36544 1/20 0.35
DRD4 P21917 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HTT P42858 1/20 0.35
HTR1A P08908 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
SCHEMBL2783918 0.91 DRD2 (0.44) DRD2HTR2AHRH1DRD3LMNA
SCHEMBL2782274 0.85 DRD2 (0.47) DRD2HTR2AHRH1DRD3KDM4E
SCHEMBL2781886 0.85 MAPT (0.41) DRD2HTR2AHRH1DRD3KDM4E
SCHEMBL2783258 0.83 DRD2 (0.42) DRD2HTR2AHRH1DRD3ALDH1A1
SCHEMBL2780931 0.83 DRD2 (0.42) DRD2HTR2AHRH1DRD3KDM4E
SCHEMBL2783343 0.81 DRD2 (0.53) DRD2HTR2AHRH1DRD3DRD4
SCHEMBL5503773 0.79 DRD2 (0.37) DRD2HTR2AHRH1DRD3KDM4E
SCHEMBL2784761 0.79 HRH3 (0.38) DRD2HTR2ADRD3DRD4
SCHEMBL2782425 0.79 DRD2 (0.42) DRD2HTR2AHRH1KDM4EALDH1A1
SCHEMBL5503076 0.79 DRD2 (0.38) DRD2HTR2AHRH1DRD3DRD4

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 1/4885HTR2A 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.