SCHEMBL4667174

SCHEMBL4667174

Cc1noc(-c2ccc(N3CC[C@H](C(=O)N4CCCN(C(C)C)CC4)C3)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.53
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
TBK1 Q9UHD2 3/20 0.42
GPR119 Q8TDV5 1/20 0.39
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NOTUM Q6P988 1/20 0.38
IKBKE Q14164 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
SCHEMBL4668359 0.96 HRH3 (0.47) HRH3MMP2MMP13TBK1GPR119
SCHEMBL4666788 0.96 HRH3 (0.47) HRH3MMP2MMP13TBK1GPR119
SCHEMBL4781842 0.96 HRH3 (0.47) HRH3MMP2MMP13TBK1GPR119
Hydrochloric Acid SCHEMBL4668584 0.95 HRH3 (0.46) HRH3MMP2MMP13TBK1GPR119
SCHEMBL3856898 0.94 HRH3 (0.57) HRH3MMP2MMP13TBK1GPR119
Hydrochloric Acid SCHEMBL3858283 0.94 HRH3 (0.56) HRH3MMP2MMP13TBK1GPR119
SCHEMBL3859432 0.91 HRH3 (0.51) HRH3MMP2MMP13TBK1GPR119
Hydrochloric Acid SCHEMBL3863815 0.90 HRH3 (0.50) HRH3MMP2MMP13TBK1GPR119
SCHEMBL4666700 0.89 HRH3 (0.56) HRH3MMP2MMP13TBK1NOTUM
SCHEMBL4668427 0.89 HRH3 (0.51) HRH3MMP2MMP13TP53LMNA

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 7 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 claimed
US-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands GLAXO GROUP LIMITED (GB) 2008-02-21 US claimed
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
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 2/4885MMP2 4238/4885MMP13 4780/4885

“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.