SCHEMBL606003

SCHEMBL606003

Cc1ccc(N)c(NC2CCN(C3CCC(OC4CCC4)CC3)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.37
TP53 P04637 1/20 0.36
HRH3 Q9Y5N1 8/20 0.35
ALOX15 P16050 1/20 0.34
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 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
SCHEMBL607592 1.00 IRAK4 (0.37) IRAK4TP53HRH3ALOX15BRD4
SCHEMBL607404 0.88 IRAK4 (0.40) IRAK4TP53BRD4ATAD2KDM4E
SCHEMBL607403 0.88 IRAK4 (0.40) IRAK4TP53BRD4ATAD2KDM4E
SCHEMBL607706 0.88 IRAK4 (0.40) IRAK4TP53BRD4ATAD2KDM4E
SCHEMBL605792 0.86 CHRM2 (0.37) IRAK4TP53ALOX15BRD4ATAD2
SCHEMBL606849 0.86 CHRM2 (0.37) IRAK4TP53ALOX15BRD4ATAD2
SCHEMBL605791 0.86 CHRM2 (0.37) IRAK4TP53ALOX15BRD4ATAD2
SCHEMBL607675 0.85 IRAK4 (0.37) IRAK4TP53HRH3ALOX15BRD4
SCHEMBL604066 0.85 IRAK4 (0.37) IRAK4TP53HRH3ALOX15BRD4
SCHEMBL604065 0.85 IRAK4 (0.37) IRAK4TP53HRH3ALOX15BRD4

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 4 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

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 IRAK4 1088/4885TP53 925/4885HRH3 132/4885
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 IRAK4 1088/4885TP53 925/4885HRH3 132/4885
US-20120316202-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 IRAK4 2652/4885TP53 1805/4885HRH3 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.