SCHEMBL4648967

SCHEMBL4648967

Cc1cc2c(cc1Cl)[nH]c(=O)n2C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.50
OPRM1 P35372 7/20 0.49
OPRD1 P41143 2/20 0.49
OPRK1 P41145 2/20 0.49
HSD11B1 P28845 6/20 0.48
CHRM1 P11229 4/20 0.47
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM5 P08912 2/20 0.47
CHRM3 P20309 2/20 0.47
HTR1A P08908 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
TACR2 P21452 1/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR1B P28222 1/20 0.44
TSPO P30536 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL4647838 0.96 CCR5 (0.50) CCR5OPRM1OPRD1OPRK1HSD11B1
SCHEMBL19358792 0.93 CCR5 (0.54) CCR5OPRM1OPRD1OPRK1HSD11B1
SCHEMBL24895536 0.89 CCR5 (0.49) CCR5OPRM1OPRD1OPRK1HSD11B1
SCHEMBL4687240 0.88 CHRM1 (0.49) CCR5OPRM1OPRD1OPRK1HSD11B1
SCHEMBL4649061 0.88 HSD11B1 (0.51) CCR5OPRM1OPRD1OPRK1HSD11B1
SCHEMBL4648328 0.88 CHRM1 (0.47) CCR5OPRM1OPRD1OPRK1HSD11B1
SCHEMBL4645974 0.88 CHRM1 (0.59) CCR5OPRM1OPRD1OPRK1HSD11B1
SCHEMBL14008489 0.87 CCR5 (0.48) CCR5OPRM1OPRD1OPRK1HSD11B1
SCHEMBL4648434 0.87 CCR5 (0.49) CCR5OPRM1OPRD1OPRK1HSD11B1
SCHEMBL4647239 0.87 HSD11B1 (0.54) CCR5OPRM1OPRD1OPRK1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
WO-2008119721-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
WO-2008119721-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
EP-1960389-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-08-27 EP disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 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 (1 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-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine CHRM1, CHRM2, CHRM5 CCR5 279/4885OPRM1 14/4885OPRD1 78/4885

“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.