SCHEMBL551956

SCHEMBL551956

O=C1NC2(CCNCC2)Nc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.63
GLA P06280 1/20 0.63
ALDH1A1 P00352 9/20 0.47
RXFP1 Q9HBX9 1/20 0.46
HSD17B10 Q99714 2/20 0.45
PDGFRA P16234 1/20 0.44
FER P16591 1/20 0.44
LTK P29376 1/20 0.44
CDK8 P49336 1/20 0.44
ACVR1 Q04771 1/20 0.44
LRRK2 Q5S007 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HPGD P15428 2/20 0.42
POLB P06746 2/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 2/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
BACE1 P56817 1/20 0.38

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
Hydrochloric Acid SCHEMBL3494698 0.98 KDM4E (0.66) KDM4EGLAALDH1A1RXFP1HSD17B10
SCHEMBL11981424 0.86 KDM4E (0.67) KDM4EGLAALDH1A1RXFP1HSD17B10
SCHEMBL29913568 0.84 KDM4E (0.65) KDM4EGLAALDH1A1RXFP1HSD17B10
SCHEMBL15920854 0.82 KDM4E (0.58) KDM4EGLAALDH1A1RXFP1HSD17B10
SCHEMBL13801312 0.81 KDM4E (0.69) KDM4EGLAALDH1A1RXFP1HSD17B10
SCHEMBL12440066 0.79 KDM4E (0.97) KDM4EGLAALDH1A1RXFP1HSD17B10
SCHEMBL551718 0.78 TGM2 (0.46) KDM4EGLAALDH1A1LRRK2MAPT
Hydrochloric Acid SCHEMBL3223973 0.76 CHEK1 (0.46) KDM4EGLALRRK2
SCHEMBL1789178 0.74 MAOA (0.41) KDM4EGLAALDH1A1RXFP1HSD17B10
SCHEMBL29604423 0.74 MAOA (0.41) KDM4EGLAALDH1A1RXFP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4655401-A1 TREATMENT OF STROKE WITH 1,4-ALPHA-GLUCAN-BRANCHING ENZYME (GBE1) INHIBITORS Regeneron Pharmaceuticals, Inc. (US) 2025-12-03 EP disclosed
WO-2024158888-A1 TREATMENT OF STROKE WITH 1,4-ALPHA-GLUCAN-BRANCHING ENZYME (GBE1) INHIBITORS REGENERON PHARMACEUTICALS, INC. (US) 2024-08-02 WO disclosed
US-20240247267-A1 Treatment Of Stroke With 1,4-Alpha-Glucan-Branching Enzyme (GBE1) Inhibitors REGENERON PHARMA (US) 2024-07-25 US disclosed
EP-2951179-A1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS Merck Patent GmbH (DE) 2015-12-09 EP disclosed
EP-2225227-B1 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
WO-2014117920-A1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH (DE) 2014-08-07 WO disclosed
US-8575167-B2 Spiro compounds having stearoyl-CoA desaturase action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20130245009-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
US-20120149698-A1 NOUVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
US-8110570-B2 Modulators of acetyl-coenzyme A carboxylase and methods of use thereof CROPSOLUTION, INC. (US) 2012-02-07 US disclosed
EP-2251339-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof CROPSOLUTION, INC. 2010-01-14 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed
EP-2062889-A1 Compounds Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-27 EP disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP 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 (6 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-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 KDM4E 1020/4885GLA 2935/4885ALDH1A1 535/4885
US-20120149698-A1 NOUVEL COMPOUNDS BDKRB2, CALCR, CALCRL KDM4E 3693/4885GLA 1808/4885ALDH1A1 1217/4885
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 KDM4E 1349/4885GLA 3182/4885ALDH1A1 3188/4885
US-20100009982-A1 Modulators of Acetyl-Coenzyme A Carboxylase and Methods of Use Thereof ACACA, ACAT1, ACACB KDM4E 2462/4885GLA 883/4885ALDH1A1 476/4885
US-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B KDM4E 1143/4885GLA 1399/4885ALDH1A1 503/4885
US-20130245009-A1 NOVEL COMPOUNDS CALCRL, CALCR, BDKRB2 KDM4E 4689/4885GLA 2032/4885ALDH1A1 856/4885

“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.