SCHEMBL10190174

SCHEMBL10190174

CCCO[C@H]1CC[C@H](N2CCC(NC(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.44
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
KCNA3 P22001 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
BTK Q06187 1/20 0.39
HSD11B1 P28845 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C9 P11712 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 3/20 0.38
EPHX1 P07099 2/20 0.37
PARP1 P09874 2/20 0.36
NAMPT P43490 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
SCHEMBL10190173 1.00 CTSK (0.44) CTSKOPRM1OPRD1OPRK1OGFRL1
SCHEMBL10203480 1.00 CTSK (0.44) CTSKOPRM1OPRD1OPRK1OGFRL1
SCHEMBL10203464 0.91 CTSK (0.47) CTSKOPRM1OPRD1OPRK1OGFRL1
SCHEMBL10190157 0.91 CTSK (0.47) CTSKOPRM1OPRD1OPRK1OGFRL1
SCHEMBL10190156 0.91 CTSK (0.47) CTSKOPRM1OPRD1OPRK1OGFRL1
SCHEMBL3370047 0.85 CTSK (0.56) CTSKOPRM1OPRD1OPRK1OGFRL1
SCHEMBL10203544 0.85 CTSK (0.44) CTSKOPRM1OPRD1OPRK1OGFRL1
SCHEMBL10203596 0.83 CTSK (0.45) CTSKOPRM1OPRD1OPRK1OGFRL1
SCHEMBL13036669 0.83 CTSK (0.49) CTSKOPRM1OPRD1OPRK1OGFRL1
SCHEMBL3016744 0.83 CHRM1 (0.38) KMT2AL3MBTL1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-06 US disclosed
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-06 US disclosed
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 US disclosed
US-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 US disclosed
WO-2007107566-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-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 CTSK 1873/4885OPRM1 13/4885OPRD1 148/4885
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 CTSK 1428/4885OPRM1 19/4885OPRD1 85/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 CTSK 1762/4885OPRM1 10/4885OPRD1 60/4885

“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.