SCHEMBL3400924

SCHEMBL3400924

CCCOc1ccc(C(=O)NCc2ccc3cc[nH]c3c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.48
METTL3 Q86U44 3/20 0.47
METTL14 Q9HCE5 3/20 0.47
HPGDS O60760 1/20 0.45
ABL1 P00519 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
NLRP3 Q96P20 1/20 0.43
TSHR P16473 1/20 0.43
ROCK2 O75116 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ROCK1 Q13464 1/20 0.43
CHRNA7 P36544 1/20 0.43
PTGES O14684 1/20 0.43
NAMPT P43490 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
SCHEMBL3430975 0.93 CHRNA7 (0.48) EPHX2METTL3METTL14HPGDSABL1
SCHEMBL3402043 0.93 METTL3 (0.48) EPHX2METTL3METTL14HPGDSABL1
SCHEMBL3400881 0.89 HPGDS (0.51) EPHX2METTL3METTL14HPGDSABL1
SCHEMBL4297202 0.87 KLKB1 (0.48) EPHX2METTL3METTL14HPGDSABL1
SCHEMBL3403917 0.84 EPHX2 (0.50) EPHX2METTL3METTL14HPGDSABL1
SCHEMBL3405026 0.84 CHRNA7 (0.49) EPHX2METTL3METTL14HPGDSABL1
SCHEMBL3404728 0.84 CHRNA7 (0.48) METTL3METTL14HPGDSABL1CYP3A4
SCHEMBL3404727 0.84 OPRM1 (0.50) EPHX2METTL3METTL14NLRP3CYP3A4
SCHEMBL3401988 0.83 METTL3 (0.52) METTL3METTL14HPGDSABL1TAS1R3
SCHEMBL4302834 0.81 HDAC1 (0.49) EPHX2METTL3METTL14HPGDSABL1

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
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 EPHX2 3581/4885METTL3 1575/4885METTL14 2439/4885

“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.