SCHEMBL9899158

SCHEMBL9899158

CCOC(=O)c1cc([N+](=O)[O-])c(NC)nc1N1CCC(C(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 12/20 0.44
OPRM1 P35372 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GALR2 O43603 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
CCR6 P51684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.39
GPR119 Q8TDV5 1/20 0.38
GPR174 Q9BXC1 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL14211235 0.89 OPRK1 (0.46) OPRK1OPRM1ALDH1A1GALR2MITF
SCHEMBL9900900 0.86 POLB (0.39) OPRK1ALDH1A1GALR2LMNAPOLB
SCHEMBL9899614 0.85 OPRK1 (0.46) OPRK1OPRM1ALDH1A1L3MBTL1
SCHEMBL9942031 0.82 ALDH1A1 (0.40) OPRK1ALDH1A1POLBMAPTTDP1
SCHEMBL9899695 0.82 ALDH1A1 (0.40) OPRK1ALDH1A1POLBMAPTTDP1
SCHEMBL9899698 0.82 ALDH1A1 (0.40) OPRK1ALDH1A1POLBMAPTTDP1
SCHEMBL9899253 0.81 ALDH1A1 (0.44) ALDH1A1GALR2MITFLMNAPOLB
SCHEMBL14118420 0.79 PTGES (0.40) ALDH1A1POLBMAPTTDP1
SCHEMBL9942033 0.79 PTGES (0.40) ALDH1A1POLBMAPTTDP1
SCHEMBL9899459 0.76 HTT (0.39) OPRK1ALDH1A1GALR2LMNAPOLB

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
EP-2649071-B1 Imidazo(4,5-b)pyridine-6-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-07-08 EP disclosed
EP-2649071-A1 IMIDAZO(4,5-B)PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
US-8486968-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-8486968-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-20120309755-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309755-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076674-A1 IMIDAZO(4,5-B)PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012076674-A1 IMIDAZO(4,5-B)PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120309755-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES OPRK1 216/4885OPRM1 98/4885ALDH1A1 112/4885

“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.