SCHEMBL4668581

SCHEMBL4668581

O=C([C@H]1CCNC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.49
CHRNB2 P17787 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRNB3 Q05901 1/20 0.44
CHRNA6 Q15825 1/20 0.44
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 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
SCHEMBL4666687 1.00 HRH3 (0.49) HRH3CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL4666662 0.95 HRH3 (0.51) HRH3KCNH2
SCHEMBL4666661 0.95 HRH3 (0.51) HRH3KCNH2
SCHEMBL3859469 0.90 CHRNB2 (0.56) HRH3CHRNB2CHRNA3CHRNA4CHRNB3
Hydrochloric Acid SCHEMBL3859447 0.89 CHRNB2 (0.55) HRH3CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL599057 0.88 HRH3 (0.51) HRH3CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL3857638 0.86 HRH3 (0.53) HRH3CHRNB2CHRNA3CHRNA4CHRNB3
Hydrochloric Acid SCHEMBL3856693 0.85 HRH3 (0.57) HRH3CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL599224 0.84 HRH3 (0.54) HRH3KCNH2
SCHEMBL4546710 0.83 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 HRH3 2/4885CHRNB2 186/4885CHRNA3 141/4885

“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.