SCHEMBL600953

SCHEMBL600953

CO[C@H]1CC[C@](C)(N2CCC(Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.45
MAPT P10636 5/20 0.45
PKM P14618 3/20 0.45
RAB9A P51151 2/20 0.45
HCAR3 P49019 3/20 0.41
NPSR1 Q6W5P4 2/20 0.40
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
WNK1 Q9H4A3 2/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR5 P51681 1/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL600954 1.00 MAPK1 (0.45) MAPK1MAPTPKMRAB9AHCAR3
SCHEMBL606999 0.92 MAPT (0.43) MAPK1MAPTPKMRAB9ACHRM2
SCHEMBL607000 0.92 MAPT (0.43) MAPK1MAPTPKMRAB9ACHRM2
SCHEMBL599889 0.89 MAPK1 (0.45) MAPK1MAPTPKMRAB9AHCAR3
SCHEMBL599890 0.89 MAPK1 (0.45) MAPK1MAPTPKMRAB9AHCAR3
SCHEMBL14235821 0.89 MAPT (0.47) MAPK1MAPTPKMRAB9AHCAR3
SCHEMBL603372 0.83 CHRM2 (0.48) MAPK1MAPTPKMRAB9ACHRM2
SCHEMBL603371 0.83 CHRM2 (0.48) MAPK1MAPTPKMRAB9ACHRM2
SCHEMBL604616 0.83 CHRM2 (0.48) MAPK1MAPTPKMRAB9ACHRM2
SCHEMBL602512 0.82 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3

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
EP-1996188-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-15 EP disclosed
EP-1996188-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-15 EP disclosed
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-06 US disclosed
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-06 US disclosed
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-06 US disclosed
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 US disclosed
US-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 US disclosed
US-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 US disclosed
WO-2007107566-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-09-27 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 (3 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-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 MAPK1 1242/4885MAPT 772/4885PKM 347/4885
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 MAPK1 1633/4885MAPT 593/4885PKM 283/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 MAPK1 2132/4885MAPT 607/4885PKM 453/4885

“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.