SCHEMBL3278017

SCHEMBL3278017

O=C(O)N1CCC(n2nc(-c3ccccc3)[nH]c2=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 3/20 0.55
RAMP1 O60894 2/20 0.55
CNR1 P21554 10/20 0.42
GPR55 Q9Y2T6 9/20 0.42
CTSS P25774 1/20 0.41
CNR2 P34972 2/20 0.41
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL17803249 0.90 CTSS (0.52) CALCRLRAMP1CNR1GPR55CTSS
SCHEMBL12622796 0.87 CALCRL (0.53) CALCRLRAMP1CNR1GPR55CTSS
SCHEMBL12400695 0.84 CALCRL (0.47) CALCRLRAMP1CNR1GPR55CTSS
SCHEMBL13907972 0.84 CALCRL (0.47) CALCRLRAMP1CNR1GPR55CTSS
SCHEMBL13313602 0.84 CALCRL (0.47) CALCRLRAMP1CTSS
SCHEMBL17524893 0.84 CALCRL (0.49) CALCRLRAMP1ACACBACACAL3MBTL3
SCHEMBL4079747 0.84 CALCRL (0.48) CALCRLRAMP1CNR1GPR55CTSS
Bicarbonate SCHEMBL5261153 0.83 NSD3 (0.50) CALCRLRAMP1CTSS
SCHEMBL13801339 0.83 CALCRL (0.46) CALCRLRAMP1CNR1GPR55CTSS
SCHEMBL12219072 0.82 HPGD (0.46) CALCRLRAMP1CNR1CTSSCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737860-A1 SELECTED CGRP-ANTAGONISTS, THEIR PREPARATION PROCESSES AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-01-03 EP claimed
EP-1722792-A1 SELECTED CGRP-ANTAGONISTS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-11-22 EP claimed
WO-2005100352-A1 SELECTED CGRP-ANTAGONISTS, THEIR PREPARATION PROCESSES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-27 WO claimed
US-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 US claimed
WO-2005084672-A1 SELECTED CGRP-ANTAGONISTS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 WO claimed
US-20100152171-A1 CGRP Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-7700589-B2 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-04-20 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-B1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2009-07-29 EP disclosed
CN-101273021-A Selected CGRP antagonists, methods for the production thereof and their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2008-09-24 CN disclosed
CN-101146799-A Cgrp-antagonists, process for their preparation as well as their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2008-03-19 CN disclosed
US-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 US disclosed
EP-1722792-A1 SELECTED CGRP-ANTAGONISTS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-11-22 EP disclosed
CN-1708492-A Selected CGRP antagonists, method for production and use thereof as medicament BOEHRINGER INGELHEIM PHARMA (DE) 2005-12-14 CN disclosed
WO-2005100352-A1 SELECTED CGRP-ANTAGONISTS, THEIR PREPARATION PROCESSES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-27 WO disclosed
US-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 US disclosed
WO-2005084672-A1 SELECTED CGRP-ANTAGONISTS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 WO disclosed
EP-1558601-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-20040132716-A1 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 US disclosed
WO-2004037811-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 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 (4 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-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BDKRB1, BDKRB2, CALCRL CALCRL 3/4885RAMP1 83/4885CNR1 68/4885
US-20070244099-A1 CGRP Antagonists CALCRL, OPRL1, CALCA CALCRL 1/4885RAMP1 36/4885CNR1 24/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA CALCRL 1/4885RAMP1 36/4885CNR1 24/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA CALCRL 4/4885RAMP1 17/4885CNR1 29/4885

“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.