SCHEMBL310888

SCHEMBL310888

CC(C)(C)OC(=O)N1[C@@H](c2ccc(OCc3ccccc3)cc2)CC[C@H]1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.51
YAP1 P46937 3/20 0.47
PRMT5 O14744 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PARP10 Q53GL7 1/20 0.43
SPHK1 Q9NYA1 2/20 0.42
FFAR2 O15552 2/20 0.42
SPHK2 Q9NRA0 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL841356 1.00 KCNH2 (0.51) KCNH2YAP1PRMT5NPC1RAB9A
SCHEMBL840062 1.00 KCNH2 (0.51) KCNH2YAP1PRMT5NPC1RAB9A
SCHEMBL840904 0.92 FFAR2 (0.49) KCNH2YAP1PRMT5FFAR2
SCHEMBL311160 0.92 FFAR2 (0.49) KCNH2YAP1PRMT5FFAR2
SCHEMBL841242 0.92 FFAR2 (0.49) KCNH2YAP1PRMT5FFAR2
SCHEMBL12973314 0.89 KCNH2 (0.51) KCNH2YAP1PRMT5SPHK1SPHK2
SCHEMBL1104546 0.89 YAP1 (0.49) YAP1PRMT5NPC1RAB9AFFAR2
SCHEMBL1104529 0.89 YAP1 (0.49) YAP1PRMT5NPC1RAB9AFFAR2
SCHEMBL1104537 0.87 MAPT (0.47) YAP1PRMT5FFAR2LTA4H
SCHEMBL24491222 0.86 KCNH2 (0.71) KCNH2PARP10FFAR2

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934177-B1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LTD (GB) 2012-05-02 EP disclosed
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
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-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-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-8143306-B2 Methods of treating bipolar disorders Convergence Pharmaceuticals Limited (GB) 2012-03-27 US disclosed
US-8143306-B2 Methods of treating bipolar disorders Convergence Pharmaceuticals Limited (GB) 2012-03-27 US disclosed
US-8093268-B2 Pharmaceutical compositions comprising 2-methoxy-5-(5-trifluoromethyl-tetrazol-1-yl-benzyl)-(2S-phenylpiperidin-3S-yl-) GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-8093268-B2 Pharmaceutical compositions comprising 2-methoxy-5-(5-trifluoromethyl-tetrazol-1-yl-benzyl)-(2S-phenylpiperidin-3S-yl-) GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-7655693-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-02-02 US disclosed
US-20090318530-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2009-12-24 US disclosed
US-20090318530-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2009-12-24 US 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-20080280969-A1 Novel Compounds GLAXO GROUP LIMITED 2008-11-13 US disclosed
US-20080280969-A1 Novel Compounds GLAXO GROUP LIMITED 2008-11-13 US disclosed
WO-2008090116-A1 NOVEL PHARMACEUTICAL COMPOSITIONS GLAXO GROUP LIMITED (GB) 2008-07-31 WO disclosed
WO-2007042239-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS 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-20090318530-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS HCRTR1, TACR2, CNR1 KCNH2 7/4885YAP1 2801/4885PRMT5 3058/4885
US-20080306122-A1 Novel Compounds CYP11B1, CYP11B2, CYP46A1 KCNH2 3313/4885YAP1 2036/4885PRMT5 2799/4885
US-20080280969-A1 Novel Compounds CYP11B2, CYP46A1, SLC10A1 KCNH2 1998/4885YAP1 1289/4885PRMT5 2486/4885

“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.