SCHEMBL3404728

SCHEMBL3404728

Cc1ccc(Oc2ccc(C(=O)NCc3ccc4cc[nH]c4c3)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.48
MAPK14 Q16539 2/20 0.47
MMP13 P45452 3/20 0.47
MMP2 P08253 1/20 0.47
CYP3A4 P08684 1/20 0.47
STAT3 P40763 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
OPRM1 P35372 4/20 0.46
OPRD1 P41143 4/20 0.46
OPRK1 P41145 2/20 0.46
HPGDS O60760 1/20 0.46
POLB P06746 1/20 0.46
KLKB1 P03952 1/20 0.45
METTL3 Q86U44 3/20 0.45
METTL14 Q9HCE5 3/20 0.45
ABL1 P00519 1/20 0.42
CHEK2 O96017 1/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 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
SCHEMBL3405056 0.92 CHRNA7 (0.50) CHRNA7MAPK14MMP13MMP2CYP3A4
SCHEMBL3404727 0.90 OPRM1 (0.50) MAPK14MMP13CYP3A4HTTSMN1; SMN2
SCHEMBL3424734 0.88 MAPK14 (0.61) CHRNA7MAPK14MMP13MMP2CYP3A4
SCHEMBL3400881 0.86 HPGDS (0.51) CHRNA7HTTHPGDSMETTL3METTL14
SCHEMBL3402043 0.85 METTL3 (0.48) CHRNA7HPGDSKLKB1METTL3METTL14
SCHEMBL3400924 0.84 EPHX2 (0.48) CHRNA7CYP3A4HPGDSMETTL3METTL14
SCHEMBL4297202 0.83 KLKB1 (0.48) CHRNA7HPGDSPOLBKLKB1METTL3
SCHEMBL3425212 0.83 METTL3 (0.48) CHRNA7MAPK14MMP13MMP2CYP3A4
SCHEMBL3398044 0.82 OPRM1 (0.50) CHRNA7MAPK14MMP13CYP3A4HTT
SCHEMBL3403917 0.81 EPHX2 (0.50) CHRNA7HPGDSMETTL3METTL14ABL1

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 CHRNA7 8/4885MAPK14 2264/4885MMP13 4883/4885

“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.