SCHEMBL4666772

SCHEMBL4666772

CC(=O)c1ccc(N2CC[C@H](C(=O)N3CCCN(C(C)C)CC3)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.59
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MMP2 P08253 2/20 0.45
MMP13 P45452 2/20 0.45
NOTUM Q6P988 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNA7 P36544 1/20 0.44
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4667322 0.95 MAPT (0.60) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL3861939 0.93 MAPT (0.67) HRH3MAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL3858292 0.92 MAPT (0.66) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL4669572 0.85 HRH3 (0.57) HRH3MEN1MMP2MMP13NOTUM
SCHEMBL4668417 0.84 MAPT (0.55) HRH3MAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4668364 0.84 HRH3 (0.56) HRH3MEN1MMP2MMP13NOTUM
SCHEMBL4667335 0.83 HRH3 (0.50) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL4666749 0.83 MAPT (0.56) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL14290080 0.82 HRH3 (0.53) HRH3MAPTALDH1A1MEN1KMT2A
SCHEMBL4666758 0.82 MAPT (0.61) HRH3MAPTALDH1A1MEN1KMT2A

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 9 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
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
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 2/4885MAPT 591/4885ALDH1A1 1039/4885

“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.