SCHEMBL441815

SCHEMBL441815

COc1cc(CCNC(=O)C(Cl)(Cl)Cl)ccc1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.65
MTNR1B P49286 3/20 0.65
ALDH1A1 P00352 5/20 0.58
BCHE P06276 2/20 0.57
APP P05067 1/20 0.56
ABCB1 P08183 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPC1 O15118 1/20 0.55
PKM P14618 1/20 0.55
RAB9A P51151 1/20 0.55
PLAAT3 P53816 1/20 0.55
PLAAT5 Q96KN8 1/20 0.55
PLAAT2 Q9NWW9 1/20 0.55
PLAAT4 Q9UL19 1/20 0.55
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL441779 0.95 MTNR1A (0.59) MTNR1AMTNR1BALDH1A1BCHEABCB1
SCHEMBL30028243 0.86 MTNR1A (0.86) MTNR1AMTNR1BALDH1A1BCHEAPP
SCHEMBL25773443 0.85 MTNR1A (0.69) MTNR1AMTNR1BALDH1A1BCHEAPP
SCHEMBL11716101 0.84 MTNR1B (0.68) MTNR1AMTNR1BALDH1A1BCHEAPP
SCHEMBL18736058 0.84 MTNR1A (0.72) MTNR1AMTNR1BALDH1A1BCHEAPP
SCHEMBL27781943 0.83 MTNR1A (0.67) MTNR1AMTNR1BALDH1A1BCHEAPP
SCHEMBL6376395 0.83 MTNR1A (0.71) MTNR1AMTNR1BALDH1A1BCHEABCB1
SCHEMBL17821665 0.82 MTNR1A (0.65) MTNR1AMTNR1BALDH1A1BCHEABCB1
SCHEMBL14027269 0.82 ALDH1A1 (0.72) MTNR1AMTNR1BALDH1A1BCHEABCB1
SCHEMBL3515495 0.82 MTNR1A (0.65) MTNR1AMTNR1BALDH1A1BCHEAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618311-B2 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2013-12-31 US disclosed
EP-1915340-B1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP (CA) 2013-08-07 EP disclosed
US-20130090483-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2013-04-11 US disclosed
US-8344162-B2 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2013-01-01 US disclosed
US-20120271057-A9 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2012-10-25 US disclosed
US-20120065408-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2012-03-15 US disclosed
US-8080673-B2 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2011-12-20 US disclosed
US-20100217014-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2010-08-26 US disclosed
US-7754897-B2 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2010-07-13 US disclosed
EP-1915340-A2 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS Cardiome Pharma Corp. (CA) 2008-04-30 EP disclosed
US-20070015924-A1 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2007-01-18 US disclosed
WO-2006138673-A2 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2006-12-28 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 (5 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-20120065408-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 MTNR1A 4282/4885MTNR1B 4333/4885ALDH1A1 2804/4885
US-20070015924-A1 Synthetic processes for the preparation of aminocyclohexyl ether compounds CYP2D6, CYP3A43, CYP2F1 MTNR1A 4282/4885MTNR1B 4333/4885ALDH1A1 2804/4885
US-20130090483-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 MTNR1A 4282/4885MTNR1B 4333/4885ALDH1A1 2804/4885
US-20100217014-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 MTNR1A 4282/4885MTNR1B 4333/4885ALDH1A1 2804/4885
US-20120271057-A9 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 MTNR1A 4282/4885MTNR1B 4333/4885ALDH1A1 2804/4885

“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.