SCHEMBL2783571

SCHEMBL2783571

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CASP1 P29466 1/20 0.41
CYP2C19 P33261 1/20 0.41
CASP7 P55210 1/20 0.41
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
VEGFA P15692 1/20 0.35
EPAS1 Q99814 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 6/20 0.34
HTR2A P28223 2/20 0.34
HRH1 P35367 1/20 0.34
HTR6 P50406 1/20 0.34
DRD3 P35462 4/20 0.33

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
SCHEMBL2784948 0.85 DRD2 (0.47) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2780900 0.85 KDM2B (0.43) KDM4EALDH1A1HSD17B10HPGDVEGFA
SCHEMBL2783669 0.84 DRD2 (0.44) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2784872 0.84 DRD2 (0.37) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2781300 0.83 DRD2 (0.54) DRD2HTR2AHRH1HTR6DRD3
SCHEMBL2782783 0.83 TSHR (0.40) MAPTKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL2781569 0.83 DRD2 (0.39) DRD2HTR2AHTR6DRD3DRD4
SCHEMBL2782434 0.81 DRD2 (0.39) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2781597 0.81 DRD2 (0.44) VEGFAEPAS1DRD2HTR2AHRH1
SCHEMBL2783750 0.80 CYP1A2 (0.44) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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 MAPT 847/4885CYP1A2 684/4885CYP3A4 920/4885
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 MAPT 820/4885CYP1A2 866/4885CYP3A4 1088/4885

“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.