SCHEMBL310304

SCHEMBL310304

C[C@@]1(C(=O)O)CCC(c2ccc(OCc3ccccc3F)cc2)=N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
PARP15 Q460N3 1/20 0.49
PARP14 Q460N5 1/20 0.49
PARP10 Q53GL7 1/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNH2 Q12809 4/20 0.45
S1PR5 Q9H228 2/20 0.44
S1PR1 P21453 2/20 0.43
SCN9A Q15858 2/20 0.43
LPAR1 Q92633 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
SCN3A Q9NY46 4/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
S1PR3 Q99500 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
SCHEMBL12079897 0.87 MAOB (0.50) MAOBPARP15PARP14PARP10NPC1
SCHEMBL310923 0.86 MAOB (0.48) MAOBPARP10NPC1RAB9ASMN1; SMN2
SCHEMBL17873367 0.86 MAOB (0.48) MAOBPARP10NPC1RAB9ASMN1; SMN2
SCHEMBL483622 0.86 MAOB (0.48) MAOBPARP10NPC1RAB9ASMN1; SMN2
SCHEMBL23878282 0.76 POLB (0.41) MAOBSMN1; SMN2
SCHEMBL22534101 0.75 MAOB (0.49) MAOBPARP15PARP14PARP10NPC1
SCHEMBL2712980 0.75 MAOB (0.49) MAOBPARP15PARP14PARP10NPC1
SCHEMBL310302 0.75 MAOB (0.49) MAOBPARP15PARP14PARP10NPC1
SCHEMBL22546709 0.75 MAOB (0.49) MAOBPARP15PARP14PARP10NPC1
SCHEMBL29385120 0.75 MAOB (0.49) MAOBPARP15PARP14PARP10NPC1

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 9 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-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
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP 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
EP-2117535-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LTD (GB) 2011-10-26 EP disclosed
EP-2117562-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LTD (GB) 2011-10-26 EP disclosed
US-20110098335-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2011-04-28 US disclosed
US-20100113521-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL-BENZYL)-(2S-PHENYLPIPERIDIN-3S-YL-) GLAXO GROUP LIMITED (GB) 2010-05-06 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 (2 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 1571/4885PARP15 3189/4885PARP14 3970/4885
US-20100113521-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL-BENZYL)-(2S-PHENYLPIPERIDIN-3S-YL-) KCNJ2, TRPV1, SCN5A MAOB 1017/4885PARP15 1463/4885PARP14 2863/4885

“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.