SCHEMBL342144

SCHEMBL342144

O=C(O)N1CCCC1c1cn2cccc(-c3ccccc3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 5/20 0.50
ALDH1A2 O94788 3/20 0.50
ALDH1A1 P00352 2/20 0.46
DHODH Q02127 1/20 0.40
HCRTR1 O43613 6/20 0.39
HCRTR2 O43614 6/20 0.39
TRPV1 Q8NER1 1/20 0.38
SCD5 Q86SK9 3/20 0.37
SCD O00767 1/20 0.37
PDE10A Q9Y233 1/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.36

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
SCHEMBL14144746 0.90 ALDH1A3 (0.47) ALDH1A3ALDH1A2ALDH1A1HCRTR1HCRTR2
SCHEMBL342337 0.88 ALDH1A3 (0.40) ALDH1A3ALDH1A2ALDH1A1HCRTR1HCRTR2
SCHEMBL343089 0.88 HCRTR1 (0.42) ALDH1A3ALDH1A2ALDH1A1HCRTR1HCRTR2
SCHEMBL342552 0.87 PREP (0.43) ALDH1A3ALDH1A2ALDH1A1HCRTR1HCRTR2
SCHEMBL4563122 0.85 SCD5 (0.42) ALDH1A3ALDH1A2ALDH1A1HCRTR1HCRTR2
SCHEMBL341365 0.85 AADAT (0.44) ALDH1A3ALDH1A2ALDH1A1TSHR
SCHEMBL4563773 0.84 DRD2 (0.42) HCRTR1HCRTR2TRPV1SCD5SCD
SCHEMBL342015 0.81 TRPV1 (0.38) ALDH1A1HCRTR1HCRTR2TRPV1SCD5
SCHEMBL14144716 0.79 GRM5 (0.40) ALDH1A3HCRTR1HCRTR2
SCHEMBL14144748 0.79 HCRTR1 (0.46) ALDH1A3ALDH1A2ALDH1A1HCRTR1HCRTR2

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 ALDH1A3 4275/4885ALDH1A2 4334/4885ALDH1A1 4176/4885
US-20100130539-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC3 ALDH1A3 4275/4885ALDH1A2 4334/4885ALDH1A1 4176/4885

“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.