SCHEMBL3404448

SCHEMBL3404448

CC(C)Oc1ccc(NC(=O)Cc2ccc3cc[nH]c3c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NOTUM Q6P988 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
MAOB P27338 1/20 0.47
CACNA1H O95180 2/20 0.45
ABL1 P00519 1/20 0.45
CACNA1G O43497 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ENPP1 P22413 1/20 0.41
WNT1 P04628 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
SCHEMBL3430120 0.92 MAOB (0.54) NLRP3SMN1; SMN2MEN1KMT2ANOTUM
SCHEMBL4304380 0.89 SMN1; SMN2 (0.64) NLRP3SMN1; SMN2MEN1KMT2ANOTUM
SCHEMBL3404631 0.88 NLRP3 (0.55) NLRP3SMN1; SMN2MEN1KMT2ANOTUM
SCHEMBL3427915 0.88 NLRP3 (0.54) NLRP3SMN1; SMN2MEN1KMT2ANOTUM
SCHEMBL4300611 0.85 NLRP3 (0.58) NLRP3SMN1; SMN2KMT2ANOTUMNPC1
SCHEMBL3430468 0.84 NLRP3 (0.53) NLRP3SMN1; SMN2MEN1KMT2ANOTUM
SCHEMBL3426825 0.84 NLRP3 (0.51) NLRP3SMN1; SMN2MEN1KMT2ANOTUM
SCHEMBL3430896 0.84 NLRP3 (0.53) NLRP3SMN1; SMN2MEN1KMT2ANOTUM
SCHEMBL4297980 0.84 NLRP3 (0.55) NLRP3SMN1; SMN2MEN1KMT2ANOTUM
SCHEMBL3427420 0.82 NLRP3 (0.50) NLRP3NOTUMMAOBCACNA1HABL1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP claimed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US claimed
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 NLRP3 1117/4885SMN1; SMN2 960/4885MEN1 4147/4885

“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.