SCHEMBL1379768

SCHEMBL1379768

O=C(CN1CC[N]CC1)NO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3974897 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CHRM5CHRM3KDM4E
SCHEMBL25128893 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CHRM5CHRM3KDM4E
SCHEMBL4969 0.81 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2CHRM5CHRM3KDM4E
SCHEMBL2164910 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2CHRM5CHRM3KDM4E
SCHEMBL11116077 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CHRM5CHRM3KDM4E
SCHEMBL42363 0.76 CHRM5 (0.64) ALDH1A1SMN1; SMN2CHRM5CHRM3KDM4E
SCHEMBL6484573 0.76 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EHTTLMNA
SCHEMBL1379961 0.76 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2CHRM5CHRM3KDM4E
SCHEMBL6693655 0.76 SIGMAR1 (0.54) ALDH1A1CHRM5CHRM3KDM4ELMNA
SCHEMBL6687442 0.76 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HTTTDP1L3MBTL1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4796567-B2 2011-10-19 JP claimed
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 claimed
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 claimed
EP-2108648-A1 Selected CGRP antagonists, method for their manufacture and use as medicines Boehringer Ingelheim International GmbH (DE) 2009-10-14 EP claimed
EP-1732917-B8 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2009-09-09 EP claimed
EP-1732917-B1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2009-07-29 EP claimed
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 claimed
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 claimed
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 claimed
US-20050234067-A1 Selected CGRP - antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US claimed
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 claimed
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-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-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 ALDH1A1 1335/4885SMN1; SMN2 4368/4885CHRM5 129/4885
US-20050234067-A1 Selected CGRP - antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ALDH1A1 1180/4885SMN1; SMN2 4425/4885CHRM5 141/4885
US-20060252750-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ALDH1A1 1335/4885SMN1; SMN2 4368/4885CHRM5 129/4885
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ALDH1A1 1335/4885SMN1; SMN2 4368/4885CHRM5 129/4885
US-20100234361-A1 SELECTED CGRP-ANTAGONISTS, PROCESS FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, CALCA ALDH1A1 1335/4885SMN1; SMN2 4368/4885CHRM5 129/4885

“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.