SCHEMBL3401577

SCHEMBL3401577

CC(C)Oc1ccc(C(=O)NCc2ccc3cc[nH]c3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

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
THRB P10828 1/20 0.51
RXFP1 Q9HBX9 1/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 3/20 0.48
NLRP3 Q96P20 1/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
METTL3 Q86U44 1/20 0.45
METTL14 Q9HCE5 1/20 0.45
NAMPT P43490 1/20 0.45

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
SCHEMBL3429016 0.91 NR1H4 (0.59) NR1H4HPGDPOLBTP53SMN1; SMN2
SCHEMBL3430068 0.87 KMT2A (0.56) NR1H4POLBTP53SMN1; SMN2THRB
SCHEMBL3400492 0.85 EPHX2 (0.58) NR1H4HPGDPOLBTP53SMN1; SMN2
SCHEMBL3424734 0.84 MAPK14 (0.61) HPGDSMN1; SMN2MAPTNLRP3
SCHEMBL3428978 0.84 METTL3 (0.48) NR1H4HPGDPOLBTP53NLRP3
SCHEMBL4297202 0.84 KLKB1 (0.48) NR1H4HPGDPOLBNLRP3METTL3
SCHEMBL3402537 0.83 MAPK14 (0.61) NR1H4HPGDSMN1; SMN2NLRP3ALDH1A1
SCHEMBL3427835 0.82 EPHX2 (0.59) NR1H4NLRP3NAMPT
SCHEMBL4300349 0.80 CHRNA7 (0.51) NR1H4SMN1; SMN2RAB9ANLRP3NPC1
SCHEMBL3427153 0.79 NR1H4 (0.59) NR1H4SMN1; SMN2RAB9ANLRP3NPC1

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
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
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 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.