SCHEMBL2836867

SCHEMBL2836867

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.49
NR4A2 P43354 2/20 0.48
SRD5A2 P31213 1/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
MAOB P27338 2/20 0.46
HDAC4 P56524 1/20 0.46
MAOA P21397 1/20 0.45
F10 P00742 1/20 0.44
SMPD1 P17405 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
IGF1R P08069 1/20 0.44
PTPN1 P18031 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
SCHEMBL483467 0.89 JAK2 (0.46) MRGPRX4NR4A2SRD5A2JAK2JAK1
SCHEMBL20876895 0.86 NR4A2 (0.51) NR4A2SRD5A2MAOBFFAR4PTPN1
SCHEMBL2727830 0.86 NR4A2 (0.51) NR4A2SRD5A2MAOBFFAR4PTPN1
SCHEMBL2713179 0.86 NR4A2 (0.51) NR4A2SRD5A2MAOBFFAR4PTPN1
SCHEMBL8696040 0.78 CHRNB4 (0.45)
SCHEMBL9542642 0.77 RAB9A (0.39) SMN1; SMN2
SCHEMBL14328250 0.77 RAB9A (0.39) SMN1; SMN2
SCHEMBL22534143 0.77 KCNH2 (0.50) NR4A2SRD5A2MAOBSMN1; SMN2KCNH2
SCHEMBL22534142 0.77 KCNH2 (0.50) NR4A2SRD5A2MAOBSMN1; SMN2KCNH2
SCHEMBL4556877 0.77 RXRA (0.51)

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-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-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-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US disclosed
EP-1943216-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
EP-1934176-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2008-06-25 EP 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 MRGPRX4 72/4885NR4A2 2130/4885SRD5A2 395/4885
US-20080306122-A1 Novel Compounds CYP11B1, CYP11B2, CYP46A1 MRGPRX4 111/4885NR4A2 3073/4885SRD5A2 366/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B MRGPRX4 458/4885NR4A2 1963/4885SRD5A2 4123/4885

“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.