SCHEMBL1598078

SCHEMBL1598078

O=C(NC[C@@H]1CCCCN1[C@@H](CO)c1ccccc1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
HCRTR1 O43613 4/20 0.41
HCRTR2 O43614 4/20 0.41
OPRK1 P41145 1/20 0.39
KMT2A Q03164 1/20 0.39
PREP P48147 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CCR3 P51677 1/20 0.38
EPHX2 P34913 1/20 0.38
TACR1 P25103 1/20 0.38
CHRM4 P08173 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37

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
SCHEMBL6575508 1.00 CKS1B (0.41) CKS1BSKP1SKP2HCRTR1HCRTR2
SCHEMBL6575510 1.00 CKS1B (0.41) CKS1BSKP1SKP2HCRTR1HCRTR2
SCHEMBL2888254 0.87 HCRTR1 (0.44) HCRTR1HCRTR2KMT2AKDM4ECCR3
SCHEMBL27620524 0.85 HCRTR1 (0.41) HCRTR1HCRTR2KMT2AKDM4EEPHX2
SCHEMBL27620525 0.85 HCRTR1 (0.41) HCRTR1HCRTR2KMT2AKDM4EEPHX2
SCHEMBL6222489 0.82 HCRTR1 (0.61) HCRTR1HCRTR2CCR3
SCHEMBL6221470 0.82 CKS1B (0.43) CKS1BSKP1SKP2HCRTR1HCRTR2
SCHEMBL6221269 0.82 HCRTR1 (0.61) HCRTR1HCRTR2CCR3
SCHEMBL6221273 0.82 HCRTR1 (0.61) HCRTR1HCRTR2CCR3
SCHEMBL6221463 0.82 CKS1B (0.43) CKS1BSKP1SKP2HCRTR1HCRTR2

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-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
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 (3 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 CKS1B 1795/4885SKP1 4517/4885SKP2 3559/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB CKS1B 1795/4885SKP1 4517/4885SKP2 3559/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB CKS1B 1795/4885SKP1 4517/4885SKP2 3559/4885

“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.