SCHEMBL3403200

SCHEMBL3403200

CCCOc1ccc(C(=O)NCc2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
LMNA P02545 3/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
HDAC1 Q13547 1/20 0.52
CYP2C9 P11712 2/20 0.50
ROCK2 O75116 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
ROCK1 Q13464 1/20 0.50
CHRNA7 P36544 1/20 0.49
KCNH2 Q12809 1/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
PLK1 P53350 1/20 0.49
CYP1A2 P05177 1/20 0.47

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
SCHEMBL3404704 0.91 EPHX2 (0.58) LMNAHPGDHDAC1CYP2C9ROCK2
SCHEMBL4301557 0.86 ALDH1A1 (0.58) LMNASMN1; SMN2HDAC1NPC1RAB9A
SCHEMBL3430975 0.85 CHRNA7 (0.48) TSHRCYP2C9ROCK2CYP3A4CYP2D6
SCHEMBL4293842 0.85 CHRNA7 (0.48) TSHRHPGDHDAC1CYP2C9ROCK2
SCHEMBL3400492 0.84 EPHX2 (0.58) LMNAHPGDSMN1; SMN2CYP2C9ROCK2
SCHEMBL3425209 0.83 CHRNA7 (0.58) SMN1; SMN2HDAC1CHRNA7KCNH2NPC1
SCHEMBL3405013 0.83 CHRNA7 (0.63) LMNAHPGDSMN1; SMN2CYP3A4CHRNA7
SCHEMBL3429016 0.83 NR1H4 (0.59) HPGDSMN1; SMN2CHRNA7KCNH2MAPT
SCHEMBL3428967 0.82 HPGD (0.60) LMNAHPGDSMN1; SMN2CYP3A4CHRNA7
SCHEMBL3425693 0.81 EPHX2 (0.59) ROCK2ROCK1CHRNA7KCNH2EPHX2

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 TSHR 794/4885LMNA 4181/4885HPGD 1608/4885

“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.