SCHEMBL4939296

SCHEMBL4939296

COc1c(F)cc(N2CCNCC2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.61
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
ACVR1 Q04771 4/20 0.47
ACVR1B P36896 2/20 0.47
TGFBR1 P36897 2/20 0.47
HTR1A P08908 2/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
RIPK2 O43353 1/20 0.46
NOD2 Q9HC29 1/20 0.46
CHRNB2 P17787 2/20 0.45

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
SCHEMBL4940896 0.89 ADRB1 (0.53) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL19709389 0.81 ADRB1 (0.56) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14922726 0.81 CHRNB2 (0.51) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL335755 0.80 ADRB1 (0.62) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7507944 0.80 ADRB1 (0.62) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL19709297 0.79 ADRB1 (0.53) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14922248 0.79 ADRB1 (0.45) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6416173 0.79 ADRB1 (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL19709394 0.79 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7586777 0.79 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D

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-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
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 ADRB1 890/4885HTR3E 1436/4885HTR3B 934/4885

“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.