SCHEMBL4933080

SCHEMBL4933080

CC(CCN1CCN(c2cccc(C(F)(F)F)c2C#N)CC1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
DRD2 P14416 6/20 0.45
HTR1A P08908 4/20 0.45
HTR7 P34969 3/20 0.45
HTR2A P28223 3/20 0.45
HTR6 P50406 2/20 0.45
GRM2 Q14416 3/20 0.41
DRD3 P35462 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH1 P35367 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL8220195 0.83 HTR1A (0.62) ADRA1DADRA1AADRA1BDRD2HTR1A
SCHEMBL2783112 0.81 DRD2 (0.49) ADRA1DADRA1AADRA1BDRD2HTR1A
SCHEMBL2782425 0.76 DRD2 (0.42) DRD2HTR2AGRM2ALDH1A1HSD17B10
SCHEMBL15916288 0.76 DRD2 (0.67) ADRA1DADRA1AADRA1BDRD2HTR1A
SCHEMBL2783451 0.76 DRD2 (0.48) ADRA1DADRA1AADRA1BDRD2HTR1A
SCHEMBL4925377 0.73 DRD2 (0.44) DRD2HTR1AHTR7HTR2AHTR6
SCHEMBL2783750 0.71 CYP1A2 (0.44) ADRA1DADRA1AADRA1BDRD2HTR1A
SCHEMBL16792970 0.69 KDM4E (0.58) DRD2HTR2AGRM2ALDH1A1MEN1
SCHEMBL4686245 0.69 HTR1A (0.59) DRD2HTR1AHTR7
SCHEMBL16406392 0.69 HTR1A (0.71) ADRA1DADRA1AADRA1BDRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432269-B2 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2008-10-07 US disclosed
US-20080167320-A1 NOVEL ARYLPIPERAZINE DERIVATIVES CAPET MARC 2008-07-10 US disclosed
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2006-04-27 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-20080167320-A1 NOVEL ARYLPIPERAZINE DERIVATIVES DRD2, HTR2C, DRD3 ADRA1D 56/4885ADRA1A 93/4885ADRA1B 96/4885
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents CYP4Z1, CYP3A5, CYP1A2 ADRA1D 119/4885ADRA1A 84/4885ADRA1B 111/4885

“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.