SCHEMBL310837

SCHEMBL310837

CC(C)(C)[C@@]1(c2ccc(OCc3ccccc3F)cc2)CC[C@]2(CCNC2=O)N1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 0.39
SCN9A Q15858 2/20 0.38
KCNH2 Q12809 6/20 0.37
MMP1 P03956 2/20 0.37
ADAM17 P78536 1/20 0.37
SCN3A Q9NY46 6/20 0.37
SCN1A P35498 1/20 0.37
SCN4A P35499 1/20 0.37
SCN7A Q01118 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL483563 1.00 MAOB (0.41) MAOBPARP15PARP14PARP10SCN9A
SCHEMBL483703 0.95 MAOB (0.40) MAOBPARP15PARP14PARP10SCN9A
SCHEMBL484166 0.95 MAOB (0.40) MAOBPARP15PARP14PARP10SCN9A
SCHEMBL483534 0.91 HPD (0.39) MAOBPARP15PARP10KCNH2SCN3A
SCHEMBL483669 0.87 FFAR1 (0.42) MAOBKCNH2MMP1ADAM17
SCHEMBL483226 0.86 HPD (0.40) MAOBPARP15PARP10KCNH2MMP1
SCHEMBL483539 0.86 HPD (0.40) MAOBPARP15PARP10KCNH2MMP1
SCHEMBL310843 0.85 MAOB (0.42) MAOBPARP15PARP14PARP10SCN9A
SCHEMBL483746 0.77 HPD (0.39) MAOBPARP15PARP10KCNH2MMP1
SCHEMBL2835400 0.75 KCNH2 (0.50) MAOBPARP15PARP14PARP10SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 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-2117562-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LTD (GB) 2011-10-26 EP 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 (1 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-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.