SCHEMBL167407

SCHEMBL167407

Cc1cc(C2CCCN2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KCNH2 Q12809 2/20 0.48
MKNK1 Q9BUB5 1/20 0.44
CHRM2 P08172 3/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41

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
SCHEMBL6181684 1.00 L3MBTL1 (0.49) L3MBTL1SLC6A2SLC6A3KCNH2MKNK1
SCHEMBL1713225 0.84 L3MBTL1 (0.53) L3MBTL1SLC6A2SLC6A3KCNH2MKNK1
SCHEMBL3333762 0.84 L3MBTL1 (0.53) L3MBTL1MKNK1CHRM2CHRM4CHRM5
SCHEMBL6178580 0.84 L3MBTL1 (0.53) L3MBTL1SLC6A2SLC6A3KCNH2MKNK1
SCHEMBL30139646 0.84 L3MBTL1 (0.53) L3MBTL1SLC6A2SLC6A3KCNH2MKNK1
SCHEMBL24746228 0.80 L3MBTL1 (0.49) L3MBTL1KCNH2MKNK1CHRM2CHRM4
SCHEMBL17529583 0.80 L3MBTL1 (0.49) L3MBTL1CHRNB2CHRNA7CHRNA4PRKAB2
SCHEMBL21225275 0.80 L3MBTL1 (0.49) L3MBTL1MKNK1CHRM2CHRM4CHRM5
SCHEMBL29473762 0.80 L3MBTL1 (0.49) L3MBTL1MKNK1CHRM2CHRM4CHRM5
SCHEMBL22910976 0.79 SLC6A2 (0.58) L3MBTL1SLC6A2SLC6A3KCNH2CHRNB2

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
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
CN-103079562-A BACE inhibitors for use in the treatment of diabetes HOFFMANN LA ROCHE 2013-05-01 CN disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
EP-1165510-B1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
EP-1165510-A1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-02 EP disclosed
US-6284785-B1 HAVING ACTIVITY AS LIGANDS OF METABOTROPIC GLUTAMATE RECEPTORS HOFFMANN- LA ROCHE INC. 2001-09-04 US disclosed
WO-2000058285-A1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 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-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 L3MBTL1 3956/4885SLC6A2 647/4885SLC6A3 1641/4885

“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.