SCHEMBL3580059

SCHEMBL3580059

CCCO[C@H]1CC[C@H](N2CCC(Nc3cc(Br)ccc3N)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.34
PIK3CA P42336 1/20 0.33
ALOX15 P16050 1/20 0.32
NSD2 O96028 2/20 0.31
TRPV6 Q9H1D0 1/20 0.31
EHMT2 Q96KQ7 2/20 0.31
DNMT1 P26358 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP3A4 P08684 1/20 0.31
CCR5 P51681 1/20 0.30
APP P05067 1/20 0.30
BACE1 P56817 1/20 0.30
BRD4 O60885 1/20 0.30
ATAD2 Q6PL18 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
SCHEMBL3578860 0.92 IRAK4 (0.35) IRAK4PIK3CAALOX15NSD2TRPV6
SCHEMBL605372 0.88 CHRM2 (0.39) IRAK4PIK3CAALOX15NSD2EHMT2
SCHEMBL605286 0.88 CHRM2 (0.39) IRAK4PIK3CAALOX15NSD2EHMT2
SCHEMBL605285 0.88 CHRM2 (0.39) IRAK4PIK3CAALOX15NSD2EHMT2
SCHEMBL607470 0.87 IRAK4 (0.38) IRAK4ALOX15NSD2EHMT2DNMT1
SCHEMBL14923222 0.87 IRAK4 (0.38) IRAK4ALOX15NSD2EHMT2DNMT1
SCHEMBL606846 0.86 HDAC1 (0.38) IRAK4CYP3A4CCR5
SCHEMBL602227 0.84 PIK3CA (0.36) PIK3CAALOX15NSD2EHMT2CYP3A4
SCHEMBL14213276 0.84 PIK3CA (0.36) PIK3CAALOX15NSD2EHMT2CYP3A4
SCHEMBL602226 0.84 PIK3CA (0.36) PIK3CAALOX15NSD2EHMT2CYP3A4

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 9 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
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 IRAK4 1088/4885PIK3CA 2881/4885ALOX15 2804/4885
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 IRAK4 1088/4885PIK3CA 2881/4885ALOX15 2804/4885
US-20120316202-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 IRAK4 2652/4885PIK3CA 2918/4885ALOX15 2040/4885

“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.