SCHEMBL4933767

SCHEMBL4933767

Nc1c(-c2cccc(F)c2)cc[n+]([O-])c1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.53
HTR7 P34969 6/20 0.49
HTR1A P08908 6/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR2C P28335 2/20 0.46
DRD2 P14416 4/20 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
SCHEMBL4931201 0.91 SIGMAR1 (0.60) SIGMAR1HTR7HTR1AALDH1A1CYP1A2
SCHEMBL4930984 0.84 SIGMAR1 (0.59) SIGMAR1HTR7HTR1AALDH1A1CYP1A2
SCHEMBL4926092 0.82 SIGMAR1 (0.54) SIGMAR1HTR7HTR1AALDH1A1CYP1A2
SCHEMBL4925322 0.77 DRD2 (0.59) SIGMAR1HTR7HTR1AHTR2CDRD2
SCHEMBL4925426 0.74 SIGMAR1 (0.55) SIGMAR1HTR7HTR1AALDH1A1CYP1A2
SCHEMBL5181068 0.73 SIGMAR1 (0.61) SIGMAR1HTR7HTR1AALDH1A1CYP1A2
SCHEMBL4924336 0.72 SIGMAR1 (0.53) SIGMAR1HTR7HTR1AALDH1A1CYP1A2
SCHEMBL11465528 0.72 SIGMAR1 (0.76) SIGMAR1HTR7HTR1AALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL4925988 0.72 SIGMAR1 (0.60) SIGMAR1HTR7HTR1AALDH1A1CYP1A2
SCHEMBL4933783 0.72 MAPT (0.53) SIGMAR1HTR7HTR1AALDH1A1CYP1A2

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 SIGMAR1 134/4885HTR7 27/4885HTR1A 20/4885
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents CYP4Z1, CYP3A5, CYP1A2 SIGMAR1 911/4885HTR7 236/4885HTR1A 464/4885

“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.