SCHEMBL13239073

SCHEMBL13239073

CCCN1CCN(c2cccc(S(F)(F)F)c2F)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.58
DRD3 P35462 7/20 0.54
SIGMAR1 Q99720 1/20 0.46
HTR6 P50406 2/20 0.45
HTR1A P08908 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL2780625 0.86 DRD2 (0.75) DRD2DRD3SIGMAR1HTR6HTR1A
SCHEMBL2785404 0.83 DRD2 (0.59) DRD2DRD3SIGMAR1HTR6HTR1A
SCHEMBL2782952 0.82 DRD2 (0.59) DRD2DRD3SIGMAR1HTR6HTR1A
SCHEMBL2784928 0.79 DRD2 (0.73) DRD2DRD3SIGMAR1HTR1ADRD4
SCHEMBL2782573 0.77 DRD2 (0.54) DRD2DRD3SIGMAR1HTR6HTR1A
SCHEMBL2782744 0.76 DRD2 (0.52) DRD2DRD3SIGMAR1HTR6HTR1A
SCHEMBL2782553 0.76 DRD2 (0.52) DRD2DRD3SIGMAR1HTR6HTR1A
SCHEMBL2783275 0.75 DRD2 (0.55) DRD2DRD3SIGMAR1HTR6HTR1A
SCHEMBL2785237 0.75 DRD2 (0.57) DRD2DRD3SIGMAR1HTR6HTR1A
SCHEMBL2784210 0.74 DRD2 (0.58) DRD2DRD3HTR6KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763639-B2 Disubstituted phenylpiperidines/piperazines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-07-27 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
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION SANIONA AB (DK) 2007-06-28 US 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 (1 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-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 DRD2 1/4885DRD3 4/4885SIGMAR1 39/4885

“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.