SCHEMBL2171976

SCHEMBL2171976

O=C1NCCCC12CCCCC2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.40
GRIN2A Q12879 3/20 0.40
OTUD7B Q6GQQ9 1/20 0.36
OR51E2 Q9H255 1/20 0.35
LTA4H P09960 1/20 0.34
GRIN2B Q13224 1/20 0.33
FKBP5 Q13451 1/20 0.33
CRBN Q96SW2 1/20 0.33
CCR2 P41597 1/20 0.31

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
SCHEMBL5173578 0.97 OTUD7B (0.37) GRIN1GRIN2AOTUD7BOR51E2LTA4H
SCHEMBL6673999 0.95 FKBP5 (0.39) GRIN1GRIN2AOTUD7BOR51E2LTA4H
SCHEMBL25238524 0.92 OTUD7B (0.37) GRIN1GRIN2AOTUD7BOR51E2LTA4H
SCHEMBL15018071 0.92
SCHEMBL9129408 0.92 CRBN (0.40) GRIN1GRIN2AOTUD7BOR51E2LTA4H
SCHEMBL11316947 0.90 FKBP5 (0.39) GRIN1GRIN2AOTUD7BOR51E2LTA4H
SCHEMBL4829 0.90 OTUD7B (0.44) GRIN1GRIN2AOTUD7BGRIN2BCRBN
Hydrochloric Acid SCHEMBL29770091 0.88 OTUD7B (0.43) GRIN1GRIN2AOTUD7BGRIN2BCRBN
Hydrochloric Acid SCHEMBL7791830 0.88 OTUD7B (0.43) GRIN1GRIN2AOTUD7BGRIN2BCRBN
SCHEMBL23009670 0.88 CRBN (0.35) GRIN1GRIN2AOTUD7BLTA4HFKBP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346507-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES Boehringer Ingelheim International GmbH (DE) 2011-07-27 EP claimed
WO-2010026029-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO claimed
US-20220204507-A1 NITROGEN-CONTAINING SPIRO DERIVATIVE AS RET INHIBITOR GUANGZHOU BAIYUNSHAN PHARMACEUTICAL HOLDINGS CO., LTD. BAIYUNSHAN PHARMACEUTICAL GENERAL FACTORY (CN) 2022-06-30 US disclosed
US-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL WUXI APPTEC (SHANGHAI) CO., LTD. (CN) 2017-09-28 US disclosed
US-8927534-B2 Compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2015-01-06 US disclosed
US-8927534-B2 Compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2015-01-06 US disclosed
EP-2670736-A1 9-[4-(3-CHLOR-2-FLUOR-PHENYLAMINO)-7-METHOXY-QUINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE DIMALEATE, USE THEREOF AS A DRUG, AND PRODUCTION THEREOF Boehringer Ingelheim International GmbH (DE) 2013-12-11 EP disclosed
WO-2012104206-A9 9-[4-(3-CHLOR-2-FLUOR-PHENYLAMINO)-7-METHOXY-QUINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE DIMALEATE, USE THEREOF AS A DRUG, AND PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-21 WO disclosed
US-8309735-B2 Heterocyclic compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2012-11-13 US disclosed
US-8309735-B2 Heterocyclic compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2012-11-13 US disclosed
WO-2012104206-A1 9-[4-(3-CHLOR-2-FLUOR-PHENYLAMINO)-7-METHOXY-QUINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE DIMALEATE, USE THEREOF AS A DRUG, AND PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-09 WO disclosed
EP-2346507-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES Boehringer Ingelheim International GmbH (DE) 2011-07-27 EP disclosed
WO-2010026029-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed
US-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-08-13 US disclosed
US-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-08-13 US disclosed
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-04-23 US disclosed
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-04-23 US disclosed
WO-2007131764-A2 NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-11-22 WO disclosed
WO-2007088041-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-08-09 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-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGB1, ITGA2, ITGB2 GRIN1 3202/4885GRIN2A 2992/4885OTUD7B 3146/4885
US-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 GRIN1 547/4885GRIN2A 1656/4885OTUD7B 3613/4885
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGA1, ITGB1, ITGA5 GRIN1 2797/4885GRIN2A 3142/4885OTUD7B 3742/4885
US-20220204507-A1 NITROGEN-CONTAINING SPIRO DERIVATIVE AS RET INHIBITOR RET, NPR1, NEK2 GRIN1 684/4885GRIN2A 1078/4885OTUD7B 3035/4885

“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.