SCHEMBL1597845

SCHEMBL1597845

CC(C)(C)OC(=O)N1CCOCC1CNC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 1/20 0.42
▸ P2RX7 Q99572 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ RECQL P46063 1/20 0.37
▸ ATM Q13315 2/20 0.36
▸ CA14 Q9ULX7 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ FPR3 P25089 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PDK1 Q15118 2/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ TNF P01375 2/20 0.33
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ POLB P06746 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ CCR2 P41597 1/20 0.32

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
SCHEMBL553866 0.86 SMN1; SMN2 (0.43) IL1BP2RX7SMN1; SMN2USP2RECQL
SCHEMBL553865 0.86 SMN1; SMN2 (0.43) IL1BP2RX7SMN1; SMN2USP2RECQL
SCHEMBL1598306 0.83 SMN1; SMN2 (0.45) IL1BP2RX7SMN1; SMN2USP2RECQL
SCHEMBL22318549 0.83 SMN1; SMN2 (0.41) IL1BP2RX7SMN1; SMN2CA14OPRD1
SCHEMBL1598854 0.81 OPRD1 (0.48) IL1BSMN1; SMN2OPRD1FPR3FPR2
SCHEMBL1598856 0.81 OPRD1 (0.48) IL1BSMN1; SMN2OPRD1FPR3FPR2
SCHEMBL6221802 0.80 KDM1A (0.46) SMN1; SMN2ATMOPRD1FPR3FPR2
SCHEMBL22388136 0.80 KDM1A (0.46) SMN1; SMN2ATMOPRD1FPR3FPR2
SCHEMBL6221806 0.80 KDM1A (0.46) SMN1; SMN2ATMOPRD1FPR3FPR2
SCHEMBL20371626 0.79 USP2 (0.49) IL1BP2RX7SMN1; SMN2USP2RECQL

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
US-7919507-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2011-04-05 — — US disclosed
US-7741329-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2010-06-22 — — US disclosed
US-20090093478-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.I.C. 2009-04-09 — — US disclosed
US-20090029986-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-29 — — US disclosed
US-20090012073-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-08 — — US disclosed
US-7432270-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM P.L.C. (GB) 2008-10-07 — — US disclosed
EP-1956020-A2 1-[2-(heterocyclyl-aminomethyl)-piperidin-1-YL]-1-(2-methyl-5-phenyl-heterocyclyl)-methanone derivatives and related compounds as orexin-1 antagonists for the treatment of obesity SMITHKLINE BEECHAM PLC (GB) 2008-08-13 — — EP disclosed
EP-1385845-B1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2008-01-09 — — EP disclosed
US-20040143115-A1 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2004-07-22 — — US disclosed
EP-1385845-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2004-02-04 — — EP disclosed
WO-2002090355-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-14 — — 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 (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-20090012073-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB IL1B 4312/4885P2RX7 194/4885SMN1; SMN2 2936/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB IL1B 4312/4885P2RX7 194/4885SMN1; SMN2 2936/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB IL1B 4312/4885P2RX7 194/4885SMN1; SMN2 2936/4885
US-20040143115-A1 N-aroyl cyclic amines HCRTR1, HCRTR2, CNR1 IL1B 1601/4885P2RX7 472/4885SMN1; SMN2 1762/4885

“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.

Send feedback