SCHEMBL1207136

SCHEMBL1207136

CC(C)(C)OC(=O)N1CCC(C2CCN(C(=O)CCC(=O)O)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.56
EPHX2 P34913 1/20 0.50
HPGD P15428 1/20 0.48
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
RECQL P46063 1/20 0.46
EPHX1 P07099 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
SCHEMBL12092165 0.89 USP2 (0.50) GPR119EPHX2HPGDDDB1CRBN
SCHEMBL310117 0.84 GPR119 (0.67) GPR119HPGDRECQLEPHX1
Formic Acid SCHEMBL31505515 0.84 DDB1 (0.48) GPR119EPHX2HPGDDDB1CRBN
SCHEMBL4654454 0.83 ITGB3 (0.40) GPR119EPHX2EPHX1
SCHEMBL13274147 0.82 GPR119 (0.65) GPR119HPGDRECQLEPHX1
SCHEMBL8661760 0.81 GPR119 (0.64) GPR119HPGDRECQLEPHX1
SCHEMBL381974 0.80 KDM4E (0.53) GPR119HPGDRECQLEPHX1
SCHEMBL31621419 0.80 SMN1; SMN2 (0.47) EPHX2DDB1CRBN
SCHEMBL28304217 0.79 GPR119 (0.56) GPR119HPGDRECQLEPHX1
SCHEMBL21359212 0.79 EPHX1 (0.62) GPR119HPGDRECQLEPHX1

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-20110034444-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-10 US disclosed
US-7858622-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20100004228-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-07 US disclosed
US-7579341-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-25 US disclosed
US-20070049581-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-01 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 (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-20100004228-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, CALCA GPR119 176/4885EPHX2 2238/4885HPGD 406/4885
US-20070049581-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA GPR119 176/4885EPHX2 2238/4885HPGD 406/4885
US-20110034444-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, CALCA GPR119 176/4885EPHX2 2238/4885HPGD 406/4885

“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.