SCHEMBL3094898

SCHEMBL3094898

O=C(c1ccc([N+](=O)[O-])cc1)N1C2CCCCC21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
EPHX2 P34913 1/20 0.53
CES1 P23141 1/20 0.52
MEN1 O00255 2/20 0.51
POLB P06746 1/20 0.51
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
HSD11B1 P28845 1/20 0.50
MGLL Q99685 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
CA12 O43570 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL3093763 0.83 KMT2A (0.68) KMT2ACES1MEN1POLBALDH1A1
SCHEMBL18596893 0.83 KMT2A (0.52) KMT2AEPHX2CES1MEN1POLB
SCHEMBL5946857 0.79 KMT2A (0.55) KMT2AEPHX2MEN1POLBHSD11B1
SCHEMBL5946952 0.79 KMT2A (0.55) KMT2AEPHX2MEN1POLBHSD11B1
SCHEMBL6672054 0.77 KMT2A (0.50) KMT2AEPHX2CES1MEN1POLB
SCHEMBL26706250 0.76 KMT2A (0.70) KMT2AEPHX2MEN1POLBCA1
SCHEMBL6675799 0.76 KMT2A (0.49) KMT2AEPHX2CES1MEN1POLB
SCHEMBL4724436 0.76 KMT2A (0.75) KMT2AEPHX2MEN1POLBCA1
SCHEMBL1877246 0.76 KMT2A (0.80) KMT2AEPHX2MEN1POLBCA1
SCHEMBL30583807 0.75 NPC1 (0.62) KMT2AEPHX2CES1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586899-B2 Synthetic process for aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2017-03-07 US disclosed
US-20150336887-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CORREVIO CANADA CORP. (CA) 2015-11-26 US disclosed
US-9115081-B2 Synthetic process for aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2015-08-25 US disclosed
US-8692002-B2 Synthetic process for aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2014-04-08 US disclosed
US-20130102791-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2013-04-25 US disclosed
US-7820862-B2 Ligand, method for producing the same, and catalyst using the ligand THE UNIVERSITY OF TOKYO (JP) 2010-10-26 US disclosed
US-7799934-B2 Intermediates (synthons) in the synthesis of pharmaceuticals such as oseltamivir and other products; treating the arizidine with the nucleophile in the presence of a biaryl phosphoric acid catalyst UNIVERSITY OF SOUTH FLORIDA (US) 2010-09-21 US disclosed
US-20090030212-A1 Enantioselective ring-opening of aziridines UNIVERSITY OF SOUTH FLORIDA OF TAMPA 2009-01-29 US disclosed
US-20090023579-A1 Ligand, Method for Producing the Same, and Catalyst Using the Ligand THE UNIVERSITY OF TOKYO (JP) 2009-01-22 US disclosed
WO-2009005775-A2 ENANTIOSELECTIVE RING-OPENING OF AZIRIDINES UNIVERSITY OF SOUTH FLORIDA (US) 2009-01-08 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-20090023579-A1 Ligand, Method for Producing the Same, and Catalyst Using the Ligand CHRM1, CHRM2, B3GNT2 KMT2A 1537/4885EPHX2 1217/4885CES1 340/4885
US-20130102791-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS DDC, PAICS, CYP4F2 KMT2A 2038/4885EPHX2 271/4885CES1 628/4885
US-20150336887-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS DDC, PAICS, CYP4F2 KMT2A 2038/4885EPHX2 271/4885CES1 628/4885
US-20090030212-A1 Enantioselective ring-opening of aziridines AZI2, ITPA, ADORA2A KMT2A 2717/4885EPHX2 183/4885CES1 4449/4885

“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.