SCHEMBL2781685

SCHEMBL2781685

CCN1CCN(c2cccc(OC(F)F)c2N)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
RAD52 P43351 2/20 0.42
GFER P55789 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 2/20 0.40
KDM2B Q8NHM5 2/20 0.40
DRD3 P35462 3/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
CHRNA7 P36544 1/20 0.40
DRD4 P21917 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL2783851 0.90 DRD2 (0.56) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL2785295 0.85 MAPK1 (0.44) DRD2SMN1; SMN2KDM4EL3MBTL1MAPK1
SCHEMBL2781924 0.85 HTR6 (0.46) DRD2GAAMAPTSMN1; SMN2KDM4E
SCHEMBL2782561 0.85 DRD2 (0.44) DRD2MAPTSMN1; SMN2DRD3ADRA1D
SCHEMBL2782566 0.84 MEN1 (0.44) DRD2GAASMN1; SMN2KDM4EL3MBTL1
SCHEMBL2781066 0.84 DRD2 (0.49) DRD2SMN1; SMN2MAPK1DRD3DRD4
SCHEMBL2783449 0.83 MAPT (0.37) DRD2MAPTSMN1; SMN2MAPK1ADRA1D
SCHEMBL2782359 0.81 KDM2B (0.47) DRD2GAAMAPTRAD52GFER
SCHEMBL2782654 0.81 DRD2 (0.45) DRD2SMN1; SMN2KDM4EL3MBTL1MAPK1
SCHEMBL5505529 0.77 DRD2 (0.42) DRD2DRD3ADRA1DADRA1AADRA1B

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 1/4885GAA 3843/4885MAPT 847/4885
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 DRD2 1/4885GAA 3851/4885MAPT 820/4885

“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.