SCHEMBL602759

SCHEMBL602759

CCCOC1CCC(N2CCC(Nc3cc(C)c(F)cc3N)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.38
CHRM2 P08172 3/20 0.38
CHRM4 P08173 3/20 0.38
CHRM5 P08912 3/20 0.38
CHRM3 P20309 3/20 0.38
IRAK4 Q9NWZ3 1/20 0.36
ALOX15 P16050 1/20 0.33
BRD4 O60885 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
KCNH2 Q12809 1/20 0.31
PIK3CA P42336 1/20 0.31
NSD2 O96028 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30

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
SCHEMBL602758 1.00 CHRM1 (0.38) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL603227 1.00 CHRM1 (0.38) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL600635 0.93 IRAK4 (0.37) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL600636 0.93 IRAK4 (0.37) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4786529 0.88 CHRM2 (0.34) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4786542 0.88 CHRM2 (0.34) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL4786536 0.88 CHRM2 (0.34) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL602227 0.88 PIK3CA (0.36) ALOX15BRD4ATAD2PIK3CANSD2
SCHEMBL601485 0.88 ALOX15 (0.33) ALOX15BRD4ATAD2PIK3CANSD2
SCHEMBL600695 0.88 ALOX15 (0.33) ALOX15BRD4ATAD2PIK3CANSD2

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 4 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

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 1/4885CHRM2 2/4885CHRM4 3/4885
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 CHRM1 1/4885CHRM2 2/4885CHRM4 3/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 CHRM1 1/4885CHRM2 2/4885CHRM4 4/4885

“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.