SCHEMBL483467

SCHEMBL483467

COC(=O)[C@@H]1CCC(c2cccc(OCc3ccccc3)c2)=N1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
MAOB P27338 2/20 0.45
DGAT2 Q96PD7 1/20 0.45
HDAC4 P56524 1/20 0.45
NR4A2 P43354 2/20 0.44
F10 P00742 1/20 0.44
SMPD1 P17405 2/20 0.44
NR1H4 Q96RI1 1/20 0.43
ADAM17 P78536 2/20 0.43
SRD5A2 P31213 1/20 0.43
ERN1 O75460 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 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
SCHEMBL2836867 0.89 MRGPRX4 (0.49) JAK2JAK1MRGPRX4MAOBHDAC4
SCHEMBL483619 0.88 CA1 (0.50) MAOBNR4A2SMPD1SRD5A2
SCHEMBL17873425 0.88 CA1 (0.50) MAOBNR4A2SMPD1SRD5A2
SCHEMBL310921 0.88 CA1 (0.50) MAOBNR4A2SMPD1SRD5A2
SCHEMBL22546653 0.81 DGAT2 (0.44) DGAT2CYP1A2CYP2C19
SCHEMBL23364842 0.77 MRGPRX4 (0.46) JAK2JAK1MRGPRX4MAOBHDAC4
SCHEMBL13311119 0.77 MAPT (0.50) MAOBNR4A2NR1H4ADAM17LMNA
SCHEMBL483661 0.77 MAPT (0.50) MAOBNR4A2NR1H4ADAM17LMNA
SCHEMBL5153442 0.76 TSHR (0.43) CYP3A4TSHRCYP2C19
SCHEMBL2727830 0.76 NR4A2 (0.51) MAOBNR4A2SRD5A2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-7855218-B2 (5R)-5-(4-{[(2-fluorophenyl)methyl]oxy}phenyl)-L-prolinamide; depression or a mood disorder ; modulation of use-dependent voltage-gated sodium channels Convergence Pharmaceuticals Limited (GB) 2010-12-21 US disclosed
US-7855218-B2 (5R)-5-(4-{[(2-fluorophenyl)methyl]oxy}phenyl)-L-prolinamide; depression or a mood disorder ; modulation of use-dependent voltage-gated sodium channels Convergence Pharmaceuticals Limited (GB) 2010-12-21 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
EP-1943216-B1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LTD (GB) 2010-06-30 EP disclosed
US-20080306122-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-12-11 US disclosed
US-20080306122-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-12-11 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US disclosed
WO-2007042240-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed
WO-2007042250-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2007-04-19 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-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 JAK2 3037/4885JAK1 2803/4885MRGPRX4 72/4885
US-20080306122-A1 Novel Compounds CYP11B1, CYP11B2, CYP46A1 JAK2 1928/4885JAK1 1745/4885MRGPRX4 111/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B JAK2 1663/4885JAK1 3299/4885MRGPRX4 458/4885

“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.