SCHEMBL3429016

SCHEMBL3429016

CC(C)Oc1ccc(C(=O)NCc2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.59
HPGD P15428 3/20 0.53
POLB P06746 2/20 0.53
TP53 P04637 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 2/20 0.49
THRB P10828 1/20 0.48
MAPT P10636 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
CHRNA7 P36544 1/20 0.46
KCNH2 Q12809 1/20 0.46
EPHX2 P34913 1/20 0.46
PPARG P37231 1/20 0.46

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
SCHEMBL3401577 0.91 NR1H4 (0.59) NR1H4HPGDPOLBTP53SMN1; SMN2
SCHEMBL4301557 0.87 ALDH1A1 (0.58) NR1H4TP53SMN1; SMN2RAB9ATHRB
SCHEMBL3404704 0.85 EPHX2 (0.58) NR1H4HPGDPOLBTP53RAB9A
SCHEMBL3405013 0.84 CHRNA7 (0.63) HPGDSMN1; SMN2ALDH1A1HTTCHRNA7
SCHEMBL4302415 0.84 RET (0.48) NR1H4HPGDPOLBALDH1A1CHRNA7
SCHEMBL4307365 0.84 KLKB1 (0.50) NR1H4HPGDPOLBALDH1A1TAS1R3
SCHEMBL3403200 0.83 TSHR (0.54) NR1H4HPGDPOLBSMN1; SMN2RAB9A
SCHEMBL3397937 0.83 ALDH1A1 (0.67) NR1H4HPGDPOLBSMN1; SMN2RAB9A
SCHEMBL3428967 0.83 HPGD (0.60) HPGDSMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL3425693 0.82 EPHX2 (0.59) NR1H4CHRNA7KCNH2EPHX2PPARG

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
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 NR1H4 1031/4885HPGD 1608/4885POLB 3910/4885

“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.