SCHEMBL3400958

SCHEMBL3400958

O=C(Cc1ccc2[nH]ccc2c1)Nc1ccc(-c2ccccc2)nn1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 4/20 0.56
CACNA1H O95180 3/20 0.51
CACNA1G O43497 1/20 0.49
CACNA1I Q9P0X4 1/20 0.49
MAOB P27338 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
AIMP2 Q13155 1/20 0.44
NLRP3 Q96P20 1/20 0.43
GLS O94925 1/20 0.43
ENPP2 Q13822 1/20 0.43
FAAH O00519 1/20 0.42
KMT2A Q03164 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
SCHEMBL3401917 0.91 WNT3A (0.56) WNT3ACACNA1HCACNA1GCACNA1INLRP3
SCHEMBL1752799 0.84 WNT3A (0.61) WNT3ANLRP3KMT2A
SCHEMBL3427852 0.83 WNT3A (0.59) WNT3ACACNA1HCACNA1GCACNA1IMAOB
SCHEMBL3430922 0.82 WNT3A (0.60) WNT3AMAOB
SCHEMBL3404717 0.80 CACNA1H (0.51) CACNA1HCACNA1GCACNA1IMAOBHDAC1
SCHEMBL3428066 0.80 MAOB (0.53) CACNA1HCACNA1GCACNA1IMAOBHDAC1
SCHEMBL4296226 0.79 MAOB (0.63) WNT3ACACNA1HCACNA1GCACNA1IMAOB
SCHEMBL4296217 0.79 CACNA1H (0.52) WNT3ACACNA1HCACNA1GCACNA1IMAOB
SCHEMBL6769497 0.79 MAOB (0.65) CACNA1HCACNA1GCACNA1IMAOBHDAC1
SCHEMBL3401462 0.77 MAOB (0.50) CACNA1HCACNA1GCACNA1IMAOBHDAC1

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-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
EP-2250162-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-17 EP claimed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US claimed
WO-2009100294-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-08-13 WO 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 WNT3A 4288/4885CACNA1H 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.