SCHEMBL341933

SCHEMBL341933

Cc1ccn2cc([C@@H]3CCCN3C(=O)OCc3ccccc3)nc2c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.44
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPC3 Q13507 2/20 0.43
TRPC7 Q9HCX4 2/20 0.43
GFER P55789 1/20 0.43
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PREP P48147 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
CTRB1 P17538 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
SCHEMBL343423 0.88 AADAT (0.45) AADATTSHRL3MBTL1GFERTMEM97
SCHEMBL342015 0.86 TRPV1 (0.38) TSHRNPSR1KDM4E
SCHEMBL341365 0.84 AADAT (0.44) AADATTSHRL3MBTL1TMEM97SIGMAR1
SCHEMBL341368 0.84 AADAT (0.44) AADATTSHRL3MBTL1GFERTMEM97
SCHEMBL14144526 0.83 GRM5 (0.41)
SCHEMBL341914 0.82 AADAT (0.45) AADATTSHRL3MBTL1TMEM97SIGMAR1
SCHEMBL341458 0.82 GFER (0.47) AADATTSHRL3MBTL1GFERTMEM97
SCHEMBL342287 0.79 GFER (0.47) AADATTSHRL3MBTL1GFERTMEM97
SCHEMBL342123 0.79 ALDH1A1 (0.45) AADATTSHRL3MBTL1TMEM97SIGMAR1
SCHEMBL342735 0.79 AADAT (0.42) AADATTSHRL3MBTL1TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2012-01-19 US disclosed
US-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2012-01-19 US disclosed
US-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2012-01-19 US disclosed
US-8063218-B2 Imidazopyridine inhibitors of IAP GENENTECH, INC. (US) 2011-11-22 US disclosed
US-8063218-B2 Imidazopyridine inhibitors of IAP GENENTECH, INC. (US) 2011-11-22 US disclosed
US-8063218-B2 Imidazopyridine inhibitors of IAP GENENTECH, INC. (US) 2011-11-22 US disclosed
US-20100130539-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH INC. (US) 2010-05-27 US disclosed
US-20100130539-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH INC. (US) 2010-05-27 US disclosed
US-20100130539-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH INC. (US) 2010-05-27 US disclosed
EP-2125809-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP Genentech, Inc. (US) 2009-12-02 EP disclosed
WO-2008079735-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2008-07-03 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 (2 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-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC3 AADAT 4260/4885TSHR 3064/4885L3MBTL1 848/4885
US-20100130539-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC3 AADAT 4260/4885TSHR 3064/4885L3MBTL1 848/4885

“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.