SCHEMBL3426441

SCHEMBL3426441

Cc1ccc(Oc2ccc(NC(=O)Cc3ccc4[nH]ccc4c3)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
CACNA1H O95180 4/20 0.48
CACNA1G O43497 1/20 0.47
CACNA1I Q9P0X4 1/20 0.47
WNT3A P56704 5/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK10 P53779 3/20 0.44
GSK3A P49840 2/20 0.44
RIOK2 Q9BVS4 2/20 0.44
MAPK8 P45983 1/20 0.44
HIPK1 Q86Z02 1/20 0.44
SNRK Q9NRH2 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MET P08581 1/20 0.42

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
SCHEMBL3425810 0.92 RAB9A (0.50) RAB9ACACNA1HCACNA1GCACNA1IWNT3A
SCHEMBL3423501 0.91 CACNA1H (0.49) RAB9ACACNA1HCACNA1GCACNA1IWNT3A
SCHEMBL3404731 0.90 MAOB (0.51) RAB9ACACNA1HCACNA1GCACNA1IMAOB
SCHEMBL3423491 0.89 CACNA1H (0.51) CACNA1HCACNA1GCACNA1IWNT3AMAOB
SCHEMBL3428296 0.88 CACNA1H (0.50) RAB9ACACNA1HCACNA1GCACNA1IWNT3A
SCHEMBL4296239 0.87 CACNA1H (0.49) CACNA1HCACNA1GCACNA1IMAOBRIOK2
SCHEMBL3400033 0.86 CACNA1H (0.48) RAB9ACACNA1HCACNA1GCACNA1IWNT3A
SCHEMBL3405039 0.86 CACNA1H (0.48) RAB9ACACNA1HCACNA1GCACNA1IWNT3A
SCHEMBL3405194 0.84 MCHR1 (0.49) RAB9ACACNA1HCACNA1GCACNA1IMAOB
SCHEMBL4305469 0.84 CACNA1H (0.51) CACNA1HCACNA1GCACNA1IWNT3AMAOB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP claimed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US claimed
CN-101990537-A Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LAB 2011-03-23 CN claimed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US claimed
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP disclosed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US disclosed
CN-101990537-A Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LAB 2011-03-23 CN disclosed
EP-2250162-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-17 EP disclosed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US disclosed
WO-2009100294-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-08-13 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-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA2, CHRNA4, CHRNA5 RAB9A 2773/4885CACNA1H 409/4885CACNA1G 380/4885

“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.