SCHEMBL600952

SCHEMBL600952

COC1CCC(N2CCC(Nc3cc(C)c(Cl)cc3N)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.35
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
PIK3CA P42336 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
CD44 P16070 1/20 0.33
NSD2 O96028 1/20 0.33
PKM P14618 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE7A Q13946 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
EHMT2 Q96KQ7 2/20 0.32
PIM1 P11309 1/20 0.32
ALOX15 P16050 1/20 0.32
MELK Q14680 1/20 0.32
IRAK4 Q9NWZ3 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
SCHEMBL600951 1.00 RIPK2 (0.35) RIPK2BRD4ATAD2PIK3CAHRH3
SCHEMBL601474 1.00 RIPK2 (0.35) RIPK2BRD4ATAD2PIK3CAHRH3
SCHEMBL600968 0.89 ALOX15 (0.35) BRD4ATAD2HRH3CD44NSD2
SCHEMBL600969 0.89 ALOX15 (0.35) BRD4ATAD2HRH3CD44NSD2
SCHEMBL600181 0.86 IRAK4 (0.39) RIPK2BRD4ATAD2PIK3CAHRH3
SCHEMBL600182 0.86 IRAK4 (0.39) RIPK2BRD4ATAD2PIK3CAHRH3
SCHEMBL602118 0.86 IRAK4 (0.39) RIPK2BRD4ATAD2PIK3CAHRH3
SCHEMBL600696 0.86 ALOX15 (0.33) BRD4ATAD2PIK3CAHRH3CD44
SCHEMBL600695 0.86 ALOX15 (0.33) BRD4ATAD2PIK3CAHRH3CD44
SCHEMBL601485 0.86 ALOX15 (0.33) BRD4ATAD2PIK3CAHRH3CD44

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-1996188-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-15 EP disclosed
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-06 US disclosed
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 US disclosed
EP-1996188-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-03 EP disclosed
WO-2007107566-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-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 RIPK2 2936/4885BRD4 407/4885ATAD2 4552/4885
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 RIPK2 3830/4885BRD4 499/4885ATAD2 4443/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 RIPK2 3399/4885BRD4 3304/4885ATAD2 4516/4885

“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.