SCHEMBL841243

SCHEMBL841243

CC(C)(C)OC(=O)OC(=O)[C@H]1NCC[C@H]1c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.44
MAOA P21397 5/20 0.44
KDM1A O60341 4/20 0.44
KCNH2 Q12809 1/20 0.43
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
YAP1 P46937 3/20 0.41
LTA4H P09960 1/20 0.41
PRMT5 O14744 3/20 0.41
MMP13 P45452 1/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38

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
SCHEMBL840905 1.00 MAOB (0.44) MAOBMAOAKDM1AKCNH2HTR2C
SCHEMBL311161 1.00 MAOB (0.44) MAOBMAOAKDM1AKCNH2HTR2C
SCHEMBL2840466 0.89 KCNH2 (0.46) MAOBKDM1AKCNH2YAP1NR4A2
SCHEMBL14343907 0.86 KDM1A (0.41) MAOBKDM1A
SCHEMBL841064 0.81 KCNH2 (0.52) MAOBMAOAKDM1AKCNH2HTR2C
SCHEMBL310182 0.81 KCNH2 (0.52) MAOBMAOAKDM1AKCNH2HTR2C
SCHEMBL840024 0.81 KCNH2 (0.52) MAOBMAOAKDM1AKCNH2HTR2C
SCHEMBL6744373 0.79 KLK7 (0.42)
SCHEMBL6959509 0.72 NPC1 (0.44) MAOBMAOAKDM1AKCNH2YAP1
SCHEMBL4062398 0.71 MAOB (0.56) MAOBLTA4HNR4A1NR4A2NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153681-B2 Method of treating epilepsy by administering 5-(4{[(2-fluorophenyl)methyl]oxy}phenyl)prolinamide Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8143306-B2 Methods of treating bipolar disorders Convergence Pharmaceuticals Limited (GB) 2012-03-27 US disclosed
US-20110098335-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2011-04-28 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-20100105754-A1 5-(4PHENYL)PROLINAMIDE FOR TREATMENT OF EPILEPSY GLAXO GROUP LIMITED (GB) 2010-04-29 US disclosed
US-7655693-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-02-02 US disclosed
US-20080306122-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-12-11 US disclosed
US-20080280969-A1 Novel Compounds GLAXO GROUP LIMITED 2008-11-13 US 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 (4 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-20110098335-A1 NOVEL COMPOUNDS SCN1A, SCN1B, SCNN1B MAOB 1571/4885MAOA 2022/4885KDM1A 2359/4885
US-20080306122-A1 Novel Compounds CYP11B1, CYP11B2, CYP46A1 MAOB 1619/4885MAOA 3055/4885KDM1A 3826/4885
US-20080280969-A1 Novel Compounds CYP11B2, CYP46A1, SLC10A1 MAOB 1719/4885MAOA 2630/4885KDM1A 3354/4885
US-20100105754-A1 5-(4PHENYL)PROLINAMIDE FOR TREATMENT OF EPILEPSY SCN5A, SCN1A, SCN7A MAOB 1767/4885MAOA 2098/4885KDM1A 630/4885

“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.