SCHEMBL608254

SCHEMBL608254

C#CCO[C@H]1CC[C@H](N2CCC(Nc3cc(C)ccc3N)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.35
BRD4 O60885 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
ALOX15 P16050 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
NSD2 O96028 2/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EHMT2 Q96KQ7 1/20 0.30
TP53 P04637 1/20 0.30
MDM2 Q00987 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
SCHEMBL604633 1.00 IRAK4 (0.35) IRAK4BRD4ATAD2ALOX15NOS3
SCHEMBL605791 0.89 CHRM2 (0.37) IRAK4BRD4ATAD2ALOX15NOS3
SCHEMBL605792 0.89 CHRM2 (0.37) IRAK4BRD4ATAD2ALOX15NOS3
SCHEMBL606849 0.89 CHRM2 (0.37) IRAK4BRD4ATAD2ALOX15NOS3
SCHEMBL14923240 0.86 IRAK4 (0.36) IRAK4BRD4ATAD2NOS3NOS1
SCHEMBL14923239 0.86 IRAK4 (0.36) IRAK4BRD4ATAD2NOS3NOS1
SCHEMBL605372 0.86 CHRM2 (0.39) IRAK4BRD4ATAD2ALOX15NOS3
SCHEMBL10264465 0.86 IRAK4 (0.35) IRAK4BRD4ATAD2ALOX15NOS3
SCHEMBL605285 0.86 CHRM2 (0.39) IRAK4BRD4ATAD2ALOX15NOS3
SCHEMBL10263639 0.86 IRAK4 (0.35) IRAK4BRD4ATAD2ALOX15NOS3

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 8 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
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-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
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2010-11-04 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 1088/4885BRD4 523/4885ATAD2 4430/4885
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 IRAK4 1088/4885BRD4 523/4885ATAD2 4430/4885
US-20120316202-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 IRAK4 2652/4885BRD4 3282/4885ATAD2 4555/4885

“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.