SCHEMBL2837206

SCHEMBL2837206

O=C(O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3)cc2)N1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 7/20 0.54
S1PR5 Q9H228 1/20 0.49
KCNH2 Q12809 2/20 0.48
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
RAB9A P51151 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
MAOB P27338 1/20 0.45
PARP10 Q53GL7 1/20 0.45

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
SCHEMBL2835415 1.00 FFAR2 (0.54) FFAR2S1PR5KCNH2NR4A1NR4A2
SCHEMBL2832359 1.00 FFAR2 (0.54) FFAR2S1PR5KCNH2NR4A1NR4A2
SCHEMBL2713220 0.90 KCNH2 (0.55) FFAR2S1PR5KCNH2NR4A1NR4A2
SCHEMBL2712695 0.90 KCNH2 (0.55) FFAR2S1PR5KCNH2NR4A1NR4A2
SCHEMBL2714652 0.90 KCNH2 (0.55) FFAR2S1PR5KCNH2NR4A1NR4A2
SCHEMBL2832488 0.87 FFAR2 (0.52) FFAR2KCNH2NR4A2MAOB
SCHEMBL841242 0.85 FFAR2 (0.49) FFAR2S1PR5KCNH2
SCHEMBL311160 0.85 FFAR2 (0.49) FFAR2S1PR5KCNH2
SCHEMBL13310682 0.85 FFAR2 (0.49) FFAR2S1PR5KCNH2MAOB
SCHEMBL840904 0.85 FFAR2 (0.49) FFAR2S1PR5KCNH2

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-11192856-B2 Process for preparing alpha-carboxamide pyrrolidine derivatives BIOGEN INC. (US) 2021-12-07 US disclosed
US-20200270206-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYRROLIDINE DERIVATIVES BIOGEN INC. 2020-08-27 US disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-20100105688-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 GLAXO GROUP LIMITED (GB) 2010-04-29 US disclosed
US-20090326032-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20100105688-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 KCNJ2, SCN5A, GRIK5 FFAR2 412/4885S1PR5 124/4885KCNH2 7/4885
US-20200270206-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYRROLIDINE DERIVATIVES CPS1, ALDH18A1, PCCA FFAR2 1409/4885S1PR5 358/4885KCNH2 896/4885
US-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 FFAR2 1237/4885S1PR5 1971/4885KCNH2 3260/4885
US-11192856-B2 Process for preparing alpha-carboxamide pyrrolidine derivatives CPS1, ALDH18A1, PCCA FFAR2 1409/4885S1PR5 358/4885KCNH2 896/4885
US-20090326032-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS TACR2, TACR1, KCNH3 FFAR2 350/4885S1PR5 263/4885KCNH2 5/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B FFAR2 1216/4885S1PR5 1143/4885KCNH2 15/4885

“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.