SCHEMBL4297202

SCHEMBL4297202

CC(C)Oc1ccc(C(=O)NCc2ccc3cc[nH]c3c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.48
KLK1 P06870 1/20 0.48
METTL3 Q86U44 3/20 0.47
METTL14 Q9HCE5 3/20 0.47
NLRP3 Q96P20 1/20 0.45
HPGDS O60760 1/20 0.44
ABL1 P00519 1/20 0.44
EPHX2 P34913 4/20 0.43
PTGES O14684 1/20 0.43
NAMPT P43490 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CHRNA7 P36544 1/20 0.40
F2 P00734 1/20 0.40
ROCK2 O75116 1/20 0.40

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
SCHEMBL4307365 0.92 KLKB1 (0.50) KLKB1KLK1METTL3METTL14HPGDS
SCHEMBL3400881 0.89 HPGDS (0.51) METTL3METTL14NLRP3HPGDSABL1
SCHEMBL3402043 0.88 METTL3 (0.48) KLKB1METTL3METTL14NLRP3HPGDS
SCHEMBL3400924 0.87 EPHX2 (0.48) METTL3METTL14NLRP3HPGDSABL1
SCHEMBL3401577 0.84 NR1H4 (0.59) METTL3METTL14NLRP3NAMPTPOLB
SCHEMBL3403917 0.84 EPHX2 (0.50) METTL3METTL14NLRP3HPGDSABL1
SCHEMBL3404728 0.83 CHRNA7 (0.48) KLKB1METTL3METTL14HPGDSABL1
SCHEMBL3404727 0.83 OPRM1 (0.50) KLKB1METTL3METTL14NLRP3EPHX2
SCHEMBL3429288 0.82 METTL3 (0.52) KLKB1KLK1METTL3METTL14NLRP3
SCHEMBL4302834 0.80 HDAC1 (0.49) KLKB1METTL3METTL14HPGDSABL1

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
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
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 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 (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 KLKB1 4076/4885KLK1 3803/4885METTL3 1575/4885

“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.