SCHEMBL606115

SCHEMBL606115

O=C(O)NC1CCN(C2CCC(OCC3CC3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
CHRM1 P11229 5/20 0.37
HRH3 Q9Y5N1 2/20 0.36
SIGMAR1 Q99720 3/20 0.35
POLB P06746 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BCHE P06276 1/20 0.33
ACKR3 P25106 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 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
SCHEMBL3020717 0.85 CHRM1 (0.40) CHRM1HRH3SIGMAR1POLBTP53
SCHEMBL3020178 0.85 CHRM1 (0.40) CHRM1HRH3SIGMAR1POLBTP53
SCHEMBL606752 0.85 CHRM1 (0.40) CHRM1HRH3SIGMAR1POLBTP53
SCHEMBL4749850 0.84 CHRM1 (0.37) EPHX2CHRM1HRH3SIGMAR1POLB
SCHEMBL10203544 0.82 CTSK (0.44) KMT2AL3MBTL1
SCHEMBL601738 0.82 CHRM1 (0.38) EPHX2CHRM1HRH3SIGMAR1POLB
SCHEMBL3016744 0.82 CHRM1 (0.38) EPHX2CHRM1HRH3SIGMAR1POLB
SCHEMBL601739 0.82 CHRM1 (0.38) EPHX2CHRM1HRH3SIGMAR1POLB
SCHEMBL22208127 0.81 POLB (0.46) EPHX2HRH3SIGMAR1POLBHSD17B10
SCHEMBL606213 0.81 HRH3 (0.37) CHRM1HRH3SIGMAR1POLBHSD17B10

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 EPHX2 2972/4885CHRM1 1/4885HRH3 132/4885
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 EPHX2 2972/4885CHRM1 1/4885HRH3 132/4885
US-20120316202-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 EPHX2 2387/4885CHRM1 1/4885HRH3 356/4885

“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.