SCHEMBL4903218

SCHEMBL4903218

O=[N+]([O-])c1cc(C(F)F)c(Cl)cc1NC1CCN(C2CCOCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.43
BCOR Q6W2J9 2/20 0.43
MAPT P10636 6/20 0.40
MAPK1 P28482 5/20 0.40
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
WNK1 Q9H4A3 2/20 0.37
HCAR3 P49019 3/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
BCL2 P10415 1/20 0.35

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
SCHEMBL4646727 0.91 BCL6 (0.48) BCL6BCORMAPTMAPK1PKM
SCHEMBL4896948 0.86 MAPK1 (0.43) BCL6BCORMAPTMAPK1PKM
SCHEMBL4853765 0.81 HTR4 (0.37) CYP2C19
SCHEMBL4907442 0.80 IRAK4 (0.44) BCL6BCORMAPTMAPK1PKM
SCHEMBL4905497 0.79 IRAK4 (0.45) BCL6BCORMAPTMAPK1PKM
SCHEMBL4897955 0.78 MAPK1 (0.41) BCL6BCORMAPTMAPK1PKM
SCHEMBL4905235 0.78 MAPT (0.38) BCL6BCORMAPTMAPK1PKM
SCHEMBL4935780 0.77 MAPT (0.49) BCL6BCORMAPTMAPK1PKM
SCHEMBL4670065 0.76 MAPT (0.48) BCL6BCORMAPTMAPK1PKM
SCHEMBL13267830 0.76 MAPK1 (0.44) MAPTMAPK1PKMRAB9ANPSR1

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 8 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
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 BCL6 1081/4885BCOR 2077/4885MAPT 1684/4885

“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.