SCHEMBL4572985

SCHEMBL4572985

CCCOC1CCC(C)(N2CCC(NC(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.42
CHRM4 P08173 3/20 0.42
CHRM5 P08912 3/20 0.42
CHRM1 P11229 3/20 0.42
CHRM3 P20309 3/20 0.42
CTSK P43235 2/20 0.42
DRD2 P14416 6/20 0.38
KCNA3 P22001 1/20 0.38
DRD3 P35462 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HSD11B1 P28845 4/20 0.36
CYP2C9 P11712 1/20 0.36
BTK Q06187 1/20 0.36

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
SCHEMBL10203504 0.84 CTSK (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3583500 0.84 CHRM4 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL26243346 0.84 CTSK (0.52) CTSKDRD2KCNA3CKS1BSKP1
SCHEMBL10190119 0.82 CTSK (0.48) CTSKDRD2KCNA3DRD3CKS1B
SCHEMBL10190173 0.80 CTSK (0.44) CTSKDRD2KCNA3CKS1BSKP1
SCHEMBL10190174 0.80 CTSK (0.44) CTSKDRD2KCNA3CKS1BSKP1
SCHEMBL10203480 0.80 CTSK (0.44) CTSKDRD2KCNA3CKS1BSKP1
SCHEMBL8245920 0.78 CTSK (0.47) CTSKDRD2KCNA3CKS1BSKP1
SCHEMBL29104538 0.76 CTSK (0.57) CTSKDRD2KCNA3CA1CA2
SCHEMBL1959792 0.76 CTSK (0.44) CTSKDRD2KCNA3DRD3CA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2008119713-A1 1- (1-CYCLOHEXYL-4-PIPERIDINYL) -1, 3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES WHICH HAVE ACTIVITY ON THE M1 RECEPTOR AND THEIR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 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 (2 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 CHRM2 2/4885CHRM4 3/4885CHRM5 4/4885
US-20100280071-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 CHRM2 2/4885CHRM4 3/4885CHRM5 4/4885

“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.