SCHEMBL4635816

SCHEMBL4635816

CCOC(=O)N1CCC(Nc2cc(OC)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.59
NOS1 P29475 4/20 0.59
NOS3 P29474 2/20 0.59
MAPT P10636 4/20 0.58
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
DCTPP1 Q9H773 1/20 0.48
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL4637044 0.88 MAPT (0.61) NOS2NOS1NOS3MAPTLMNA
SCHEMBL22605844 0.87 ALDH1A1 (0.63) MAPTLMNASMN1; SMN2ALDH1A1POLB
SCHEMBL4636292 0.86 MAPT (0.62) NOS2NOS1NOS3MAPTLMNA
SCHEMBL4670055 0.86 SMN1; SMN2 (0.59) NOS2NOS1NOS3MAPTLMNA
SCHEMBL606148 0.84 MAPT (0.57) NOS2NOS1NOS3MAPTLMNA
SCHEMBL4910166 0.84 LMNA (0.63) NOS2NOS1NOS3MAPTLMNA
SCHEMBL4635677 0.83 NOS2 (0.63) NOS2NOS1NOS3MAPTLMNA
SCHEMBL18547844 0.82 MAPT (0.54) NOS2NOS1NOS3MAPTLMNA
SCHEMBL8672067 0.82 MAPT (0.69) NOS2NOS1NOS3MAPTLMNA
SCHEMBL20337736 0.82 MAPT (0.56) MAPTLMNASMN1; SMN2ALDH1A1POLB

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-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US disclosed
EP-1937670-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT M1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-07-02 EP disclosed
WO-2007036711-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT Ml RECEPTOR GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed
WO-2007036711-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT Ml RECEPTOR 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-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor CHRM1, CHRM2, CHRM4 NOS2 2065/4885NOS1 1083/4885NOS3 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.