SCHEMBL342015

SCHEMBL342015

Cc1ccn2cc(C3CCCN3C(=O)O)nc2c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.38
RIPK1 Q13546 1/20 0.36
HCRTR1 O43613 10/20 0.36
HCRTR2 O43614 10/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
ITGA4 P13612 1/20 0.35
SCD5 Q86SK9 3/20 0.35

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
SCHEMBL14144526 0.91 GRM5 (0.41) HCRTR1HCRTR2SCD5SCD
SCHEMBL341933 0.86 AADAT (0.44) KDM4ETSHRNPSR1
SCHEMBL343005 0.84 RIPK1 (0.33) TRPV1RIPK1HCRTR1HCRTR2ALDH1A1
SCHEMBL342144 0.81 ALDH1A3 (0.50) TRPV1HCRTR1HCRTR2ALDH1A1KDM4E
SCHEMBL343089 0.81 HCRTR1 (0.42) RIPK1HCRTR1HCRTR2ALDH1A1KDM4E
SCHEMBL4563773 0.79 DRD2 (0.42) TRPV1HCRTR1HCRTR2SCD5SCD
SCHEMBL10183573 0.78 BIRC2 (0.43)
SCHEMBL342337 0.74 ALDH1A3 (0.40) TRPV1HCRTR1HCRTR2ALDH1A1NPC1
SCHEMBL4563122 0.74 SCD5 (0.42) TRPV1HCRTR1HCRTR2ALDH1A1SCD5
SCHEMBL342552 0.74 PREP (0.43) TRPV1HCRTR1HCRTR2ALDH1A1KDM4E

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 5 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-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
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 TRPV1 2793/4885RIPK1 138/4885HCRTR1 2755/4885
US-20100130539-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC3 TRPV1 2793/4885RIPK1 138/4885HCRTR1 2755/4885

“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.