SCHEMBL4649346

SCHEMBL4649346

Cc1cc2c(cc1Cl)[nH]c(=O)n2C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.49
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM3 P20309 1/20 0.47
KCNH2 Q12809 1/20 0.47
PGR P06401 2/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
CACNA1F O60840 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR7 P34969 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 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
Hydrochloric Acid SCHEMBL4749717 0.99 OPRM1 (0.48) OPRM1CHRM2CHRM1CHRM4CHRM5
SCHEMBL8241559 0.95 OPRM1 (0.49) OPRM1CHRM2CHRM1CHRM4CHRM5
Hydrochloric Acid SCHEMBL4647887 0.93 OPRM1 (0.48) OPRM1CHRM2CHRM1CHRM4CHRM5
SCHEMBL602399 0.89 CHRM2 (0.51) OPRM1CHRM2CHRM1CHRM4CHRM5
SCHEMBL11097820 0.89 OPRM1 (0.60) OPRM1PGRDRD2DRD3HTR1A
SCHEMBL4647996 0.84 CHRM1 (0.65) OPRM1CHRM2CHRM1CHRM4CHRM5
SCHEMBL4647304 0.84 CHRM2 (0.47) OPRM1CHRM2CHRM1CHRM4CHRM5
SCHEMBL8241634 0.83 CCR4 (0.48) OPRM1PGRDRD2DRD3OPRD1
Hydrochloric Acid SCHEMBL4749245 0.83 CHRM1 (0.64) OPRM1CHRM2CHRM1CHRM4CHRM5
Hydrochloric Acid SCHEMBL4648276 0.82 CCR4 (0.48) OPRM1PGRDRD2DRD3OPRD1

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 12 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
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 OPRM1 14/4885CHRM2 2/4885CHRM1 1/4885

“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.