SCHEMBL2785380

SCHEMBL2785380

C=CCN1CCC(c2cccc(C#N)c2C#N)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.49
DRD3 P35462 1/20 0.44
DRD4 P21917 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
SIGMAR1 Q99720 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP7 P55210 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR1A P08908 5/20 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
SCHEMBL2781919 0.88 DRD2 (0.48) DRD2DRD3DRD4SIGMAR1CYP1A2
SCHEMBL5505289 0.86 DRD2 (0.42) DRD2DRD3DRD4CYP2D6CASP1
SCHEMBL2782559 0.86 DRD2 (0.48) DRD2DRD3DRD4SIGMAR1CYP1A2
SCHEMBL2781897 0.86 DRD2 (0.48) DRD2DRD3DRD4SIGMAR1CYP1A2
SCHEMBL2783356 0.86 DRD2 (0.48) DRD2DRD3DRD4SIGMAR1CYP1A2
SCHEMBL2785586 0.86 DRD2 (0.48) DRD2DRD3DRD4SIGMAR1CYP1A2
SCHEMBL2783875 0.86 ADRA2A (0.45) DRD2DRD3PDCD1CD274SIGMAR1
SCHEMBL2783024 0.86 DRD2 (0.44) DRD2DRD3DRD4PDCD1CD274
SCHEMBL5504352 0.85 DRD2 (0.41) DRD2DRD3DRD4MAPTKDM4E
SCHEMBL2783825 0.83 DRD2 (0.41) DRD2DRD3PDCD1CD274SIGMAR1

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 10 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
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
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 4/4885DRD4 2/4885
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 DRD2 1/4885DRD3 4/4885DRD4 2/4885

“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.