SCHEMBL606846

SCHEMBL606846

CCCO[C@H]1CC[C@H](N2CCC(Nc3cc(C4CC4)ccc3N)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC3 O15379 1/20 0.38
IRAK4 Q9NWZ3 5/20 0.34
HRH3 Q9Y5N1 6/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CAMK2D Q13557 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
MCHR1 Q99705 1/20 0.32
CCR5 P51681 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
SCHEMBL14923217 0.93 HDAC1 (0.40) HDAC1HDAC2HDAC3IRAK4HRH3
SCHEMBL606108 0.93 HDAC1 (0.40) HDAC1HDAC2HDAC3IRAK4HRH3
SCHEMBL605372 0.87 CHRM2 (0.39) IRAK4
SCHEMBL605286 0.87 CHRM2 (0.39) IRAK4
SCHEMBL605285 0.87 CHRM2 (0.39) IRAK4
SCHEMBL607470 0.86 IRAK4 (0.38) IRAK4HRH3
SCHEMBL14923222 0.86 IRAK4 (0.38) IRAK4HRH3
SCHEMBL3580059 0.86 IRAK4 (0.34) IRAK4CYP3A4CCR5
SCHEMBL604110 0.84 MAPT (0.42) IRAK4CYP2C9CCR5
SCHEMBL604109 0.84 MAPT (0.42) IRAK4CYP2C9CCR5

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 10 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-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 HDAC1 642/4885HDAC2 1535/4885HDAC3 2030/4885
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 HDAC1 642/4885HDAC2 1535/4885HDAC3 2030/4885
US-20120316202-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 HDAC1 2874/4885HDAC2 3717/4885HDAC3 3818/4885

“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.