SCHEMBL4934007

SCHEMBL4934007

[O-][n+]1ccc(-c2ccccc2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
SLC6A4 P31645 1/20 0.41
ESR2 Q92731 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP2A6 P11509 1/20 0.37
SMO Q99835 1/20 0.36
MAOA P21397 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
ALOX5 P09917 1/20 0.34
CHKA P35790 1/20 0.34
BACE1 P56817 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL6756098 0.77 RAB9A (0.46) SLC22A2SLC22A1SLC22A3SLC6A4ALDH1A1
SCHEMBL18000465 0.75 SLC22A2 (0.46) SLC22A2SLC22A1SLC22A3SLC6A4ALDH1A1
SCHEMBL10980674 0.73 LMNA (0.52) SLC22A2SLC22A1SLC22A3SLC6A4ESR2
Hydrochloric Acid SCHEMBL11176551 0.73 SLC22A2 (0.40) SLC22A2SLC22A1SLC22A3SLC6A4ALDH1A1
SCHEMBL9796610 0.71 ESR2 (0.41) ESR2CYP1A2ALDH1A1SMOSMN1; SMN2
SCHEMBL4928856 0.70
SCHEMBL317079 0.69 SLC22A2 (0.55) SLC22A2SLC22A1SLC22A3SLC6A4CYP1A2
Hydrochloric Acid SCHEMBL10569329 0.67 SLC22A2 (0.52) SLC22A2SLC22A1SLC22A3SLC6A4CYP1A2
SCHEMBL853354 0.67
Hydrochloric Acid SCHEMBL852482 0.66

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 6 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-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-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
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 SLC22A2 1855/4885SLC22A1 2199/4885SLC22A3 1294/4885
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents CYP4Z1, CYP3A5, CYP1A2 SLC22A2 3393/4885SLC22A1 3303/4885SLC22A3 3958/4885

“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.