SCHEMBL4668202

SCHEMBL4668202

O=C(O)N1CCCN(CC2CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
CHRM5 P08912 1/20 0.45
ADRA2C P18825 1/20 0.45
HRH3 Q9Y5N1 1/20 0.40
CACNA2D1 P54289 2/20 0.40
CACNA1B Q00975 2/20 0.40
CACNB1 Q02641 2/20 0.40
CCR2 P41597 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1C Q13936 1/20 0.40
PARP1 P09874 1/20 0.38
THRB P10828 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM2B Q8NHM5 3/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3825062 0.92 SMN1; SMN2 (0.44) SMN1; SMN2CHRM5ADRA2CHRH3CACNA2D1
SCHEMBL4321783 0.89 CHRM5 (0.48) SMN1; SMN2CHRM5ADRA2CTHRBMAPT
SCHEMBL4321277 0.89 SMN1; SMN2 (0.54) SMN1; SMN2CHRM5ADRA2CCACNA2D1CACNA1B
SCHEMBL209863 0.89 SMN1; SMN2 (0.50) SMN1; SMN2CHRM5ADRA2CHRH3CACNA2D1
SCHEMBL3555476 0.85 CHRM5 (0.54) SMN1; SMN2CHRM5ADRA2CTHRBMAPT
SCHEMBL4667175 0.83 SMN1; SMN2 (0.58) SMN1; SMN2MAPTKDM4EALDH1A1GAA
SCHEMBL3165975 0.83 CHRM5 (0.57) SMN1; SMN2CHRM5ADRA2CTHRBMAPT
SCHEMBL4470927 0.82 CACNA2D1 (0.47) SMN1; SMN2CHRM5ADRA2CCACNA2D1CACNA1B
SCHEMBL4475140 0.80 CACNA2D1 (0.58) SMN1; SMN2HRH3CACNA2D1CACNA1BCACNB1
SCHEMBL27571743 0.80 CACNA2D1 (0.58) SMN1; SMN2HRH3CACNA2D1CACNA1BCACNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802307-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LTD (GB) 2008-02-27 EP disclosed
US-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands GLAXO GROUP LIMITED (GB) 2008-02-21 US disclosed
EP-1802307-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2007-07-04 EP disclosed
WO-2006040192-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2006-04-20 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-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands HRH4, HRH3, HRH2 SMN1; SMN2 3501/4885CHRM5 185/4885ADRA2C 213/4885

“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.