SCHEMBL4668416

SCHEMBL4668416

CC(C)N1CCN(C(=O)[C@H]2CCNC2)C[C@@H]1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.36
CHRNA3 P32297 8/20 0.36
CHRNA4 P43681 8/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
KDM5A P29375 1/20 0.34
TLR9 Q9NR96 4/20 0.34
TLR8 Q9NR97 4/20 0.34
TLR7 Q9NYK1 4/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CHRNB4 P30926 7/20 0.34
CHRNA7 P36544 7/20 0.34
TYRO3 Q06418 1/20 0.33
PARP1 P09874 1/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL5195512 1.00 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3857098 0.92 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3857094 0.92 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL3860651 0.90 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL3860655 0.90 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24308882 0.78 HRH3 (0.49) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4667177 0.78 HRH3 (0.49) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4667199 0.78 HRH3 (0.49) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4668634 0.76 HRH3 (0.42) HRH3
SCHEMBL27274754 0.74 CHRNB2 (0.47) 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 CHRNB2 186/4885CHRNA3 141/4885CHRNA4 100/4885

“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.