SCHEMBL16669593

SCHEMBL16669593

O=C(OCc1ccccc1)N1CCC(OC(=O)N2CCOCC2)CC1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.76
KMT2A Q03164 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
CYP2C19 P33261 1/20 0.60
MAPT P10636 1/20 0.52
GRIN2B Q13224 6/20 0.51
HTT P42858 1/20 0.51
CYP2D6 P10635 3/20 0.50
CYP2C9 P11712 3/20 0.50
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 2/20 0.47
GPR119 Q8TDV5 1/20 0.47
FAAH O00519 1/20 0.47

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
SCHEMBL14095609 0.88 KMT2A (0.97) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1337663 0.88 KMT2A (0.97) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2306313 0.85 SMN1; SMN2 (0.70) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4285600 0.85 SMN1; SMN2 (0.62) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL953680 0.84 PRSS1 (0.67) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1318178 0.84 MEN1 (0.66) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4281745 0.84 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL26025029 0.83 SMN1; SMN2 (0.67) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9691141 0.83 SMN1; SMN2 (0.67) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31323430 0.83 KMT2A (0.86) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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
EP-3063148-B1 AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2020-04-29 EP disclosed
EP-3063148-B1 AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2020-04-29 EP disclosed
EP-3063148-A1 AZABENZIMIDAZOLE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2016-09-07 EP disclosed
US-9187477-B2 Azabenzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-17 US disclosed
US-9187477-B2 Azabenzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-17 US disclosed
US-9187477-B2 Azabenzimidazole derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-17 US disclosed
WO-2015063011-A1 AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-07 WO disclosed
WO-2015063011-A1 AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-07 WO disclosed
US-20150119393-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-30 US disclosed
US-20150119393-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-30 US disclosed
US-20150119393-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-30 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-20150119393-A1 NEW AZABENZIMIDAZOLE DERIVATIVES PRKAR2B, PRKAB2, PRKAB1 MEN1 3391/4885KMT2A 1372/4885NPSR1 2678/4885

“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.