SCHEMBL4648847

SCHEMBL4648847

CC(C)(C)OC(=O)N1CCC(Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CNR1 P21554 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
GPR119 Q8TDV5 2/20 0.43
GPR174 Q9BXC1 1/20 0.42
CCNT1 O60563 1/20 0.41
STS P08842 3/20 0.41
DCTPP1 Q9H773 1/20 0.41
EPHX1 P07099 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL18425295 0.92 ALDH1A1 (0.52) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL19358814 0.92 ALDH1A1 (0.51) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4646560 0.89 ALDH1A1 (0.47) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4647997 0.89 MAPT (0.47) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4647601 0.89 ALDH1A1 (0.48) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL28882840 0.88 ALDH1A1 (0.47) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4648329 0.88 ALDH1A1 (0.46) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL3093592 0.87 ALDH1A1 (0.47) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4648350 0.87 ALDH1A1 (0.48) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4650235 0.85 ALDH1A1 (0.50) ALDH1A1MAPTNPC1MAPK1HTT

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 9 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
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

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 1574/4885MAPT 1684/4885NPC1 676/4885

“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.