SCHEMBL605106

SCHEMBL605106

CCOC1CCC(N2CCC(Nc3cc(C#N)ccc3[N+](=O)[O-])CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IRAK4 Q9NWZ3 9/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
IRAK1 P51617 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL605105 1.00 MAPT (0.42) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL607725 0.86 MAPT (0.45) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL607021 0.86 MAPT (0.45) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL607020 0.86 MAPT (0.45) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL606885 0.85 CHRM4 (0.52) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL606884 0.85 CHRM4 (0.52) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL606426 0.85 MAPT (0.44) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL606425 0.85 MAPT (0.44) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL604705 0.85 MAPT (0.44) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL604706 0.85 MAPT (0.44) MAPTCYP1A2CYP2C9CYP2C19HTT

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 MAPT 584/4885CYP1A2 202/4885CYP2C9 424/4885
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 MAPT 584/4885CYP1A2 202/4885CYP2C9 424/4885
US-20120316202-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 MAPT 502/4885CYP1A2 547/4885CYP2C9 2184/4885

“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.