SCHEMBL604603

SCHEMBL604603

Cc1ccc(N)c(N)c1C1CCN([C@H]2CC[C@@H](OCC3CC3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.32
ABCB1 P08183 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
GPR119 Q8TDV5 3/20 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
SCHEMBL605668 1.00 HCRTR2 (0.32) HCRTR2ABCB1CHRM2CHRM1GPR119
SCHEMBL604604 1.00 HCRTR2 (0.32) HCRTR2ABCB1CHRM2CHRM1GPR119
SCHEMBL607149 0.76 ABCB1 (0.39) HCRTR2ABCB1CHRM2CHRM1
SCHEMBL607150 0.76 ABCB1 (0.39) HCRTR2ABCB1CHRM2CHRM1
SCHEMBL605592 0.75 ABCB1 (0.44) ABCB1CHRM2CHRM1
SCHEMBL605591 0.75 ABCB1 (0.44) ABCB1CHRM2CHRM1
SCHEMBL605240 0.73 CHRM4 (0.47) CHRM2CHRM1
SCHEMBL605239 0.73 CHRM4 (0.47) CHRM2CHRM1
SCHEMBL607812 0.73 CHRM4 (0.47) CHRM2CHRM1
SCHEMBL10264465 0.72 IRAK4 (0.35) CHRM2CHRM1

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 HCRTR2 710/4885ABCB1 823/4885CHRM2 2/4885
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 HCRTR2 710/4885ABCB1 823/4885CHRM2 2/4885
US-20120316202-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 HCRTR2 233/4885ABCB1 755/4885CHRM2 2/4885

“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.