SCHEMBL1598094

SCHEMBL1598094

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.47
LMNA P02545 4/20 0.45
MEN1 O00255 2/20 0.45
TP53 P04637 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MITF O75030 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
NLRP1 Q9C000 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
CYP2D6 P10635 5/20 0.44
CYP1A2 P05177 3/20 0.43
TSHR P16473 2/20 0.43
SLC6A2 P23975 2/20 0.43
KCNH2 Q12809 2/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL3088560 1.00 FDPS (0.47) FDPSLMNAMEN1TP53KMT2A
SCHEMBL20186812 1.00 FDPS (0.47) FDPSLMNAMEN1TP53KMT2A
Hydrochloric Acid SCHEMBL17114350 0.98 FDPS (0.46) FDPSLMNAMEN1TP53KMT2A
SCHEMBL14919306 0.94 CYP2D6 (0.42) FDPSLMNAMEN1TP53KMT2A
SCHEMBL2937827 0.94 CYP2D6 (0.42) FDPSLMNAMEN1TP53KMT2A
SCHEMBL3335001 0.94 CYP2D6 (0.42) FDPSLMNAMEN1TP53KMT2A
Hydrochloric Acid SCHEMBL27007558 0.92 DRD2 (0.41) FDPSLMNAMEN1TP53KMT2A
Hydrochloric Acid SCHEMBL27126809 0.92 DRD2 (0.41) FDPSLMNAMEN1TP53KMT2A
SCHEMBL17513288 0.84
SCHEMBL15244581 0.83 FDPS (0.46) FDPSLMNAMEN1TP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 EP disclosed
EP-3548495-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS Gilead Sciences, Inc. (US) 2019-10-09 EP disclosed
US-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-16 US disclosed
WO-2018102384-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-06-07 WO disclosed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 US disclosed
US-7919507-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2011-04-05 US disclosed
US-20100286201-A1 POLYMORPH FORMS OF (S)-2-((4-BENZOFURANYL)CARBONYLAMINOMETHYL)-1-((4-(2-METHYL-5-(4-FLUOROPHENYL)THIAZOLYL)CARBONYL)PIPERIDINE GLAXO GROUP LIMITED (GB) 2010-11-11 US disclosed
US-7741329-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2010-06-22 US disclosed
EP-2190842-A1 POLYMORPH FORMS OF (S)-2-((4-BENZOFURANYL)CARBONYLAMINOMETHYL)-1-((4-(2-METHYL-5-(4-FLUOROPHENYL)THIAZOLYL)CARBONYL)PIPERIDINE Glaxo Group Limited (GB) 2010-06-02 EP disclosed
CN-101711247-A 2-cyclopropyl-thiazole derivatives ACTELION PHARMACEUTICALS LTD 2010-05-19 CN disclosed
US-20090093478-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.I.C. 2009-04-09 US disclosed
WO-2009034133-A1 POLYMORPH FORMS OF (S)-2-((4-BENZOFURANYL)CARBONYLAMINOMETHYL)-1-((4-(2-METHYL-5-(4-FLUOROPHENYL)THIAZOLYL)CARBONYL)PIPERIDINE GLAXO GROUP LIMITED (GB) 2009-03-19 WO 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 (7 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-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors CAMK1, CAMKK1, CAMK1D FDPS 2262/4885LMNA 1251/4885MEN1 3142/4885
US-20090012073-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB FDPS 1864/4885LMNA 3391/4885MEN1 1089/4885
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D FDPS 2262/4885LMNA 1251/4885MEN1 3142/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB FDPS 1864/4885LMNA 3391/4885MEN1 1089/4885
US-20100286201-A1 POLYMORPH FORMS OF (S)-2-((4-BENZOFURANYL)CARBONYLAMINOMETHYL)-1-((4-(2-METHYL-5-(4-FLUOROPHENYL)THIAZOLYL)CARBONYL)PIPERIDINE HLA-DRB1, HLA-C, BRCA1 FDPS 1014/4885LMNA 857/4885MEN1 3435/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB FDPS 1864/4885LMNA 3391/4885MEN1 1089/4885
US-20040143115-A1 N-aroyl cyclic amines HCRTR1, HCRTR2, CNR1 FDPS 4863/4885LMNA 2089/4885MEN1 768/4885

“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.