SCHEMBL4940896

SCHEMBL4940896

COc1c(F)cc(N2CCNCC2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.53
HTR1A P08908 2/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
DRD3 P35462 1/20 0.51
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
HTR3E A5X5Y0 3/20 0.45
HTR3B O95264 3/20 0.45
HTR3A P46098 3/20 0.45
HTR3D Q70Z44 3/20 0.45
HTR3C Q8WXA8 3/20 0.45
SIGMAR1 Q99720 2/20 0.45
ACVR1 Q04771 3/20 0.43

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
SCHEMBL4939296 0.89 ADRB1 (0.61) ADRB1HTR1ACHRM2CHRM4CHRM1
SCHEMBL5245685 0.89 ADRB1 (0.61) ADRB1HTR1ADRD2DRD4HTR2A
Hydrochloric Acid SCHEMBL4934648 0.87 ADRB1 (0.59) ADRB1HTR1ADRD2DRD4HTR2A
SCHEMBL19709419 0.79 ADRB1 (0.53) ADRB1HTR1ACHRM2CHRM4CHRM1
SCHEMBL19709297 0.79 ADRB1 (0.53) ADRB1HTR1ACHRM2CHRM4CHRM1
SCHEMBL17884641 0.77 ADRB1 (0.62) ADRB1HTR1AHTR2AHTR2CCHRM2
SCHEMBL19709300 0.75 ADRB1 (0.56) ADRB1HTR1ACHRM2CHRM4CHRM1
SCHEMBL19709389 0.75 ADRB1 (0.56) ADRB1HTR1ADRD2DRD3CHRNB2
SCHEMBL14922726 0.75 CHRNB2 (0.51) ADRB1HTR1ACHRM2CHRM4CHRM1
SCHEMBL7507944 0.74 ADRB1 (0.62) ADRB1HTR1ACHRM2CHRM4CHRM1

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 890/4885HTR1A 421/4885DRD2 344/4885

“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.