SCHEMBL4765377

SCHEMBL4765377

O=C(O)c1ccc(-c2cocn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.50
HPGD P15428 1/20 0.47
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 2/20 0.44
LDHA P00338 1/20 0.44
TSHR P16473 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
P4HA1 P13674 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
CAMK2D Q13557 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
SCHEMBL6511365 0.84 HDAC4 (0.46) HDAC4HPGDRAB9ASMN1; SMN2GPR119
SCHEMBL1649180 0.81 HDAC4 (0.44) HDAC4NPC1KDM4EALDH1A1LOXL2
SCHEMBL6166963 0.81 KMO (0.53) HDAC4RAB9ANPC1KDM4EALDH1A1
SCHEMBL3840412 0.77 SCN9A (0.49) HDAC4LDHALOXL2
SCHEMBL2986666 0.77 DHODH (0.50) HDAC4HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL4775707 0.76 NAMPT (0.54) HPGDRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL6513323 0.75 PLOD2 (0.54) HDAC4GPR119
SCHEMBL9288053 0.72 ENPP3 (0.47) HDAC4HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL1646055 0.72 HDAC4 (0.44) HDAC4HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL824386 0.72 LDHA (0.60) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019057969-A1 DUAL AGONISTS OF FXR AND PPARδ AND THEIR USES Johann Wolfgang Goethe-Universität (DE) 2019-03-28 WO disclosed
EP-2892888-B1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-04-18 EP disclosed
US-9469631-B2 N-cyclopropyl-N-piperidinyl-amides, pharmaceutical compositions containing them, and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-10-18 US disclosed
EP-2731932-B1 AMINOMETHYL QUINOLONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-12-30 EP disclosed
US-20150225390-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-13 US disclosed
EP-2892888-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2015-07-15 EP disclosed
EP-2731932-A1 AMINOMETHYL QUINOLONE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-05-21 EP disclosed
US-8680150-B2 Small molecule hematopoietic growth factor mimetic compounds that activate hematopoietic growth factor receptors LIGAND PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
WO-2014037327-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 WO disclosed
US-8501732-B2 Aminomethyl quinolone compounds HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US disclosed
WO-2013007676-A1 AMINOMETHYL QUINOLONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO disclosed
US-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS BILOTTA JOSEPH A (US) 2013-01-17 US disclosed
US-20110003851-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS THAT ACTIVATE HEMATOPOIETIC GROWTH FACTOR RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP disclosed
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
EP-1713778-A1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-10-25 EP disclosed
WO-2005058837-A1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-06-30 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 (4 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-20150225390-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF GPR18, GPR39, GPR4 HDAC4 1443/4885HPGD 457/4885RAB9A 830/4885
US-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS MAP3K1, MAP3K11, MAP3K5 HDAC4 1580/4885HPGD 937/4885RAB9A 1848/4885
US-20110003851-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS THAT ACTIVATE HEMATOPOIETIC GROWTH FACTOR RECEPTORS MPL, CSF3R, CSF1R HDAC4 3432/4885HPGD 1447/4885RAB9A 2996/4885
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 HDAC4 126/4885HPGD 889/4885RAB9A 2307/4885

“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.