SCHEMBL4933231

SCHEMBL4933231

COc1cccc(-c2ccnc(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.55
DRD2 P14416 6/20 0.53
ADRA1A P35348 5/20 0.53
DRD3 P35462 5/20 0.53
SIGMAR1 Q99720 2/20 0.51
KCNH2 Q12809 1/20 0.50
HTR1A P08908 2/20 0.48
HRH4 Q9H3N8 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL4933860 0.93 HTR2A (0.53) ABCB1DRD2ADRA1ADRD3SIGMAR1
SCHEMBL4924336 0.89 SIGMAR1 (0.53) DRD2ADRA1ADRD3SIGMAR1KCNH2
SCHEMBL4926092 0.88 SIGMAR1 (0.54) DRD2ADRA1ADRD3SIGMAR1HTR1A
SCHEMBL5181068 0.88 SIGMAR1 (0.61) DRD2ADRA1ADRD3SIGMAR1HTR1A
SCHEMBL4930255 0.88 SIGMAR1 (0.52) DRD2ADRA1ADRD3SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL4925988 0.87 SIGMAR1 (0.60) DRD2ADRA1ADRD3SIGMAR1HTR1A
SCHEMBL4929095 0.86 SIGMAR1 (0.52) DRD2ADRA1ADRD3SIGMAR1HTR1A
SCHEMBL4925426 0.85 SIGMAR1 (0.55) DRD2ADRA1ADRD3SIGMAR1HTR1A
SCHEMBL4935069 0.85 DRD2 (0.49) DRD2ADRA1ADRD3SIGMAR1HTR1A
SCHEMBL4932898 0.85 SIGMAR1 (0.54) DRD2ADRA1ADRD3SIGMAR1HTR1A

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 ABCB1 1341/4885DRD2 1/4885ADRA1A 93/4885
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents CYP4Z1, CYP3A5, CYP1A2 ABCB1 91/4885DRD2 1280/4885ADRA1A 84/4885

“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.