SCHEMBL2165320

SCHEMBL2165320

CC(=O)N/C(=C\c1cccc(C)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
MMP1 P03956 2/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
EGFR P00533 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RECQL P46063 1/20 0.40

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
SCHEMBL2165317 1.00 MEN1 (0.50) MEN1KMT2AMAOBMAOAMMP1
SCHEMBL2165325 1.00 MEN1 (0.50) MEN1KMT2AMAOBMAOAMMP1
SCHEMBL388142 0.83 AKR1C3 (0.57) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL388143 0.83 AKR1C3 (0.57) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL786716 0.83 AKR1C3 (0.57) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL10430547 0.83 CYP1A2 (0.49) MEN1KMT2AMAOBMAOAMMP1
SCHEMBL10430611 0.83 AKR1C3 (0.48) MEN1KMT2AMAOBMAOAMMP1
Methyl Alcohol SCHEMBL8740650 0.82 AKR1C3 (0.55) MEN1KMT2AMAPTNPC1GAA
SCHEMBL387760 0.82 AKR1C3 (0.55) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL8653628 0.81 ALDH1A1 (0.58) MEN1KMT2AMAOBMAOAMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1992349-B1 CGRP antagonists, their preparation and use as a medicament BOEHRINGER INGELHEIM INT (DE) 2013-07-31 EP disclosed
US-7985747-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-26 US disclosed
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 US disclosed
US-20100234361-A1 SELECTED CGRP-ANTAGONISTS, PROCESS FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-16 US disclosed
US-7700598-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-20 US disclosed
US-7696196-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
EP-2108648-A1 Selected CGRP antagonists, method for their manufacture and use as medicines Boehringer Ingelheim International GmbH (DE) 2009-10-14 EP disclosed
EP-1732917-B8 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2009-09-09 EP disclosed
EP-1732917-B1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2009-07-29 EP disclosed
US-20090176770-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-09 US disclosed
US-20090111797-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
US-7491717-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-17 US disclosed
US-7479488-B2 Selected CGRP—antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-20 US disclosed
EP-1992349-A1 CGRP antagonists, their preparation and use as a medicament Boehringer Ingelheim International GmbH (DE) 2008-11-19 EP disclosed
EP-1863791-B1 2-OXO-1,2,4,5-TETRAHYDRO-1,3-BENZODIAZEPIN-3-YL-PIPERIDINES USED AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2008-11-12 EP disclosed
EP-1732917-A1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-12-20 EP disclosed
US-20060252750-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 US disclosed
WO-2005092880-A1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 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 (5 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-20090176770-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MEN1 552/4885KMT2A 4658/4885MAOB 390/4885
US-20060252750-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MEN1 552/4885KMT2A 4658/4885MAOB 390/4885
US-20090111797-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MEN1 552/4885KMT2A 4658/4885MAOB 390/4885
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MEN1 552/4885KMT2A 4658/4885MAOB 390/4885
US-20100234361-A1 SELECTED CGRP-ANTAGONISTS, PROCESS FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, CALCA MEN1 552/4885KMT2A 4658/4885MAOB 390/4885

“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.