SCHEMBL4667294

SCHEMBL4667294

CC(C)N1CCCN(C(=O)[C@H]2CCNC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.48
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
CYP2D6 P10635 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRNB3 Q05901 1/20 0.40
CHRNA6 Q15825 1/20 0.40
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.39
CHRNA7 P36544 1/20 0.38
CHRM1 P11229 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 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
SCHEMBL4666627 1.00 HRH3 (0.48) HRH3HTTLMNACYP2D6CHRNB2
SCHEMBL4666626 1.00 HRH3 (0.48) HRH3HTTLMNACYP2D6CHRNB2
SCHEMBL24308882 0.94 HRH3 (0.49) HRH3CYP2D6CHRNB2CHRNA3CHRNA4
SCHEMBL4667177 0.94 HRH3 (0.49) HRH3CYP2D6CHRNB2CHRNA3CHRNA4
SCHEMBL4667199 0.94 HRH3 (0.49) HRH3CYP2D6CHRNB2CHRNA3CHRNA4
SCHEMBL3856605 0.91 HRH3 (0.50) HRH3HTTLMNACYP2D6CHRNB2
SCHEMBL20328064 0.88 HRH3 (0.47) HRH3LMNACYP2D6CHRNB2CHRNA3
SCHEMBL3856734 0.85 CHRNB2 (0.56) HRH3HTTCYP2D6CHRNB2CHRNA3
SCHEMBL2673313 0.84 CHRNB2 (0.53) HTTLMNACYP2D6CHRNB2CHRNA3
SCHEMBL4546710 0.84 CHRNB2 (0.53) HTTLMNACYP2D6CHRNB2CHRNA3

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 2/4885HTT 207/4885LMNA 4820/4885

“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.