SCHEMBL310923

SCHEMBL310923

C[C@@]1(C(=O)O)CCC(c2ccc(OCc3ccccc3)cc2)=N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
NR4A2 P43354 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
GSTP1 P09211 1/20 0.45
PARP10 Q53GL7 1/20 0.45
MDM2 Q00987 1/20 0.45
MCL1 Q07820 2/20 0.44
MMP12 P39900 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL17873367 1.00 MAOB (0.48) MAOBCA1CA2NR4A2NR4A1
SCHEMBL483622 1.00 MAOB (0.48) MAOBCA1CA2NR4A2NR4A1
SCHEMBL483470 0.87 MAOB (0.51) MAOBNR4A2SMN1; SMN2SRD5A2FFAR4
SCHEMBL310304 0.86 MAOB (0.52) MAOBPARP10NPC1RAB9ASMN1; SMN2
SCHEMBL483664 0.84 MAOB (0.47) MAOBCA1CA2NR4A2NR4A1
SCHEMBL310921 0.72 CA1 (0.50) MAOBCA1CA2NR4A2NR4A1
SCHEMBL483619 0.72 CA1 (0.50) MAOBCA1CA2NR4A2NR4A1
SCHEMBL17873425 0.72 CA1 (0.50) MAOBCA1CA2NR4A2NR4A1
SCHEMBL12079897 0.72 MAOB (0.50) MAOBPARP10NPC1RAB9ASMN1; SMN2
Bicarbonate SCHEMBL9638235 0.71 FFAR1 (0.71) MAOBNR4A2NR4A1NR4A3GSTP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237379-B1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYRROLIDINE DERIVATIVES CONVERGENCE PHARMACEUTICALS (GB) 2022-04-06 EP disclosed
US-10421716-B2 Process for preparing alpha-carboxamide pyrrolidine derivatives Convergence Pharmaceuticals Limited (GB) 2019-09-24 US disclosed
US-20170369437-A1 Process for Preparing Alpha-Carboxamide Pyrrolidine Derivatives Convergence Pharmaceuticals Limited (GB) 2017-12-28 US disclosed
EP-3237379-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYRROLIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2017-11-01 EP disclosed
WO-2016102967-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYRROLIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2016-06-30 WO 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-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 (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 1571/4885CA1 733/4885CA2 244/4885
US-20100113521-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL-BENZYL)-(2S-PHENYLPIPERIDIN-3S-YL-) KCNJ2, TRPV1, SCN5A MAOB 1017/4885CA1 1620/4885CA2 350/4885
US-10421716-B2 Process for preparing alpha-carboxamide pyrrolidine derivatives CPS1, ALDH18A1, PCCA MAOB 78/4885CA1 1685/4885CA2 1855/4885
US-20170369437-A1 Process for Preparing Alpha-Carboxamide Pyrrolidine Derivatives CPS1, ALDH18A1, PCCA MAOB 78/4885CA1 1685/4885CA2 1855/4885

“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.