SCHEMBL850478

SCHEMBL850478

CCCCCC1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.50
FAAH O00519 1/20 0.47
NR1H2 P55055 1/20 0.44
PKM P14618 2/20 0.44
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 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
SCHEMBL23207463 0.96 GPR119 (0.49) GPR119FAAHNR1H2PKMHPGD
SCHEMBL7512359 0.93 GPR119 (0.56) GPR119FAAHPKMGNAI3GNAO1
SCHEMBL4424219 0.92 MEN1 (0.50) GPR119NR1H2PKMHPGDMEN1
SCHEMBL14368873 0.92 MEN1 (0.50) GPR119NR1H2PKMHPGDMEN1
SCHEMBL14368864 0.92 MEN1 (0.50) GPR119NR1H2PKMHPGDMEN1
SCHEMBL20128944 0.91 GPR119 (0.57) GPR119FAAHPKMGNAI3GNAO1
SCHEMBL28131719 0.91 MEN1 (0.49) GPR119HPGDMEN1KMT2AALDH1A1
SCHEMBL16609042 0.90 NR1H2 (0.48) GPR119FAAHNR1H2PKMHPGD
SCHEMBL19347041 0.90 NR1H2 (0.48) GPR119FAAHNR1H2PKMHPGD
SCHEMBL12844537 0.90 NR1H2 (0.48) GPR119FAAHNR1H2PKMHPGD

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
EP-2454234-B1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-04-11 EP disclosed
US-8343763-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-20120149742-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 US disclosed
US-8143297-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-27 US disclosed
US-20110098328-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-28 US disclosed
EP-2307412-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2011-04-13 EP disclosed
US-7846954-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-07 US disclosed
US-20100004300-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-07 US disclosed
WO-2010002956-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-07 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 (3 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-20120149742-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 GPR119 682/4885FAAH 964/4885NR1H2 1557/4885
US-20100004300-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 GPR119 682/4885FAAH 964/4885NR1H2 1557/4885
US-20110098328-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 GPR119 682/4885FAAH 964/4885NR1H2 1557/4885

“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.