SCHEMBL4944339

SCHEMBL4944339

O=Cc1ccc(N2CCNCC2)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 6/20 0.73
ALDH3A1 P30838 1/20 0.67
ADRB1 P08588 6/20 0.51
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
MAPT P10636 1/20 0.44
HTR3E A5X5Y0 3/20 0.44
HTR3B O95264 3/20 0.44
HTR3A P46098 3/20 0.44
HTR3D Q70Z44 3/20 0.44
HTR3C Q8WXA8 3/20 0.44
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44

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
SCHEMBL29417647 0.84 ALDH1A3 (1.00) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL18519816 0.84 ALDH1A3 (1.00) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL11305457 0.83 ALDH1A3 (0.96) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4934676 0.82 ALDH1A1 (0.73) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL31494990 0.82 ALDH1A1 (0.73) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL29952847 0.81 ALDH1A1 (0.71) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL15093728 0.80 ALDH1A3 (1.00) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6024911 0.78 ADRB1 (0.49) ALDH1A3ALDH3A1ADRB1DRD2DRD3
SCHEMBL3688210 0.77 MAPT (0.76) ALDH1A3ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL29831886 0.77 HTR3A (0.60) ADRB1DRD2DRD3CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors GLAXO GROUP LIMITED 2008-10-16 US disclosed
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors GLAXO GROUP LIMITED 2008-10-16 US disclosed
US-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors GLAXO GROUP LIMITED 2008-10-16 US disclosed
EP-1858869-A1 ACYLATED PIPERIDINES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
WO-2006094842-A1 ACYLATED PIPERIDIHES AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2006-09-14 WO 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-20080255144-A1 Acylated Piperidines as Glycine Transporter Inhibitors SLC1A1, SLC6A7, SLC1A2 ALDH1A3 3060/4885ALDH3A1 1724/4885ADRB1 890/4885

“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.