SCHEMBL1598060

SCHEMBL1598060

CC(C)Oc1ccccc1C(=O)N1CCCC1CNc1ncc(Br)cn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 10/20 0.49
HCRTR1 O43613 9/20 0.49
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL1598058 1.00 HCRTR2 (0.49) HCRTR2HCRTR1MEN1TSHRKMT2A
SCHEMBL1598949 0.89 HCRTR2 (0.61) HCRTR2HCRTR1MEN1TSHRKMT2A
SCHEMBL1598946 0.89 HCRTR2 (0.61) HCRTR2HCRTR1MEN1TSHRKMT2A
SCHEMBL1598859 0.87 TP53 (0.57) HCRTR2HCRTR1MEN1TSHRKMT2A
SCHEMBL1598863 0.87 TP53 (0.57) HCRTR2HCRTR1MEN1TSHRKMT2A
SCHEMBL1597568 0.87 MEN1 (0.49) HCRTR2HCRTR1MEN1TSHRKMT2A
SCHEMBL1597566 0.87 MEN1 (0.49) HCRTR2HCRTR1MEN1TSHRKMT2A
SCHEMBL5139148 0.85 TP53 (0.50) HCRTR2HCRTR1TP53
SCHEMBL5139149 0.85 TP53 (0.50) HCRTR2HCRTR1TP53
SCHEMBL1597774 0.85 HCRTR2 (0.48) HCRTR2HCRTR1MEN1TSHRKMT2A

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-20090012073-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-08 US claimed
EP-1385845-B1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2008-01-09 EP claimed
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

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 HCRTR2 344/4885HCRTR1 417/4885MEN1 1089/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB HCRTR2 344/4885HCRTR1 417/4885MEN1 1089/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB HCRTR2 344/4885HCRTR1 417/4885MEN1 1089/4885

“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.