SCHEMBL4647397

SCHEMBL4647397

COc1cc2[nH]c(=O)n(C3CCNCC3)c2cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD11B1 P28845 6/20 0.48
CHRM2 P08172 3/20 0.46
CHRM4 P08173 3/20 0.46
CHRM5 P08912 3/20 0.46
CHRM1 P11229 3/20 0.46
CHRM3 P20309 3/20 0.46
KCNH2 Q12809 2/20 0.46
BRD4 O60885 1/20 0.45
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
OPRM1 P35372 5/20 0.41
CCR4 P51679 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
OPRD1 P41143 2/20 0.39
OPRL1 P41146 1/20 0.39

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
SCHEMBL4648263 0.86 CHRM2 (0.43) ALDH1A1HTTKDM4ESMN1; SMN2HSD11B1
SCHEMBL602399 0.86 CHRM2 (0.51) ALDH1A1HSD11B1CHRM2CHRM4CHRM5
SCHEMBL8241634 0.84 CCR4 (0.48) ALDH1A1HTTKDM4ESMN1; SMN2HSD11B1
Hydrochloric Acid SCHEMBL4648276 0.82 CCR4 (0.48) ALDH1A1HTTKDM4ESMN1; SMN2HSD11B1
SCHEMBL4649346 0.82 OPRM1 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4647304 0.82 CHRM2 (0.47) HSD11B1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4647996 0.82 CHRM1 (0.65) HSD11B1CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL4749717 0.81 OPRM1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL4749245 0.81 CHRM1 (0.64) HSD11B1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4906414 0.80 CHRM1 (0.73) ALDH1A1HTTKDM4ESMN1; SMN2HSD11B1

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 11 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
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 ALDH1A1 1574/4885HTT 2166/4885KDM4E 4368/4885

“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.