SCHEMBL606461

SCHEMBL606461

O=C1CCN(C2CCC(OC3CCC3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.33
TP53BP1 Q12888 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL10203554 1.00 HRH3 (0.33) HRH3TP53BP1L3MBTL3L3MBTL1CYP2D6
SCHEMBL4213726 0.82 MAPK1 (0.43) HRH3TP53BP1L3MBTL3L3MBTL1CYP2D6
SCHEMBL121604 0.82 L3MBTL3 (0.34) HRH3TP53BP1L3MBTL3L3MBTL1KCNH2
Hydrochloric Acid SCHEMBL3665053 0.80 L3MBTL3 (0.33) HRH3TP53BP1L3MBTL3L3MBTL1MAPK1
SCHEMBL14878281 0.79 IKZF2 (0.37) HRH3CYP2D6MAPK1KCNH2
SCHEMBL6628090 0.78 OPRM1 (0.43) HRH3L3MBTL3L3MBTL1MAPK1
SCHEMBL602034 0.76 HSD11B1 (0.35) MAPK1
SCHEMBL602035 0.76 HSD11B1 (0.35) MAPK1
SCHEMBL3880193 0.76 L3MBTL3 (0.39) HRH3TP53BP1L3MBTL3L3MBTL1MAPK1
SCHEMBL7633925 0.76 OPRM1 (0.46) HRH3MAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004182-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-08 EP disclosed
US-20120316202-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-13 US disclosed
US-20120041028-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2010-11-04 US disclosed
EP-2004182-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-24 EP disclosed
WO-2007107565-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-09-27 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 (3 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-20120041028-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 HRH3 132/4885TP53BP1 1451/4885L3MBTL3 2105/4885
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 HRH3 132/4885TP53BP1 1451/4885L3MBTL3 2105/4885
US-20120316202-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 HRH3 356/4885TP53BP1 3539/4885L3MBTL3 3895/4885

“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.