SCHEMBL310672

SCHEMBL310672

CN1[C@H](C(=O)O)CC[C@H]1c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.59
FFAR2 O15552 4/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
S1PR5 Q9H228 1/20 0.49
MAOB P27338 1/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA5 P30532 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
FFAR1 O14842 1/20 0.46
EGFR P00533 1/20 0.46

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
SCHEMBL310922 1.00 KCNH2 (0.59) KCNH2FFAR2KDM4EALDH1A1LMNA
SCHEMBL483621 1.00 KCNH2 (0.59) KCNH2FFAR2KDM4EALDH1A1LMNA
SCHEMBL311548 1.00 KCNH2 (0.59) KCNH2FFAR2KDM4EALDH1A1LMNA
SCHEMBL20886555 0.89 KCNH2 (0.56) KCNH2FFAR2KDM4EALDH1A1LMNA
SCHEMBL483601 0.87 KCNH2 (0.51) KCNH2FFAR2KDM4ELMNAMAOB
SCHEMBL483469 0.87 KCNH2 (0.51) KCNH2FFAR2KDM4ELMNAMAOB
SCHEMBL483774 0.85 FFAR2 (0.48) KCNH2FFAR2KDM4EALDH1A1LMNA
SCHEMBL483662 0.85 FFAR2 (0.48) KCNH2FFAR2KDM4EALDH1A1LMNA
SCHEMBL2835415 0.85 FFAR2 (0.54) KCNH2FFAR2S1PR5MAOBNR4A1
SCHEMBL2837206 0.85 FFAR2 (0.54) KCNH2FFAR2S1PR5MAOBNR4A1

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 KCNH2 65/4885FFAR2 459/4885KDM4E 2927/4885
US-20100113521-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL-BENZYL)-(2S-PHENYLPIPERIDIN-3S-YL-) KCNJ2, TRPV1, SCN5A KCNH2 11/4885FFAR2 314/4885KDM4E 759/4885

“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.