SCHEMBL601738

SCHEMBL601738

CCCO[C@H]1CC[C@@H](N2CCC(NC(=O)O)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.38
EPHX2 P34913 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL601739 1.00 CHRM1 (0.38) CHRM1EPHX2KMT2AMEN1SIGMAR1
SCHEMBL3016744 1.00 CHRM1 (0.38) CHRM1EPHX2KMT2AMEN1SIGMAR1
SCHEMBL3020717 0.90 CHRM1 (0.40) CHRM1KMT2AMEN1SIGMAR1TP53
SCHEMBL3020178 0.90 CHRM1 (0.40) CHRM1KMT2AMEN1SIGMAR1TP53
SCHEMBL606752 0.90 CHRM1 (0.40) CHRM1KMT2AMEN1SIGMAR1TP53
SCHEMBL10203480 0.83 CTSK (0.44) KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL10190173 0.83 CTSK (0.44) KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL10190174 0.83 CTSK (0.44) KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL606115 0.82 EPHX2 (0.39) CHRM1EPHX2KMT2AMEN1SIGMAR1
SCHEMBL4715595 0.81 PDE7A (0.43) CHRM1EPHX2KMT2AMEN1SIGMAR1

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 6 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
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-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 US disclosed
EP-1996188-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-03 EP 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 CHRM1 1/4885EPHX2 2743/4885KMT2A 2317/4885
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 CHRM1 1/4885EPHX2 2903/4885KMT2A 3248/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 CHRM1 1/4885EPHX2 2562/4885KMT2A 4088/4885

“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.