SCHEMBL2053424

SCHEMBL2053424

CC(=O)NCC1CCC(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.41
CD274 Q9NZQ7 9/20 0.39
PDCD1 Q15116 5/20 0.39
FUCA1 P04066 1/20 0.37
PDCD1LG2 Q9BQ51 4/20 0.36
MTNR1B P49286 2/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL23726079 0.84 MTNR1A (0.39) MTNR1ACD274PDCD1PDCD1LG2
SCHEMBL23725421 0.84 MTNR1A (0.39) MTNR1ACD274PDCD1PDCD1LG2
SCHEMBL14365883 0.83 MTNR1A (0.45) MTNR1ACD274PDCD1PDCD1LG2MTNR1B
SCHEMBL15934292 0.83 MTNR1A (0.59) MTNR1ACD274PDCD1PDCD1LG2MTNR1B
SCHEMBL22686842 0.82 TDP1 (0.47) MTNR1ACD274PDCD1PDCD1LG2
SCHEMBL10056911 0.82 TDP1 (0.47) MTNR1ACD274PDCD1PDCD1LG2
SCHEMBL16750110 0.81 MTNR1A (0.39) MTNR1ACD274PDCD1PDCD1LG2MTNR1B
SCHEMBL23604391 0.78 DRD2 (0.40) MTNR1A
SCHEMBL20942698 0.78 MTNR1A (0.39) MTNR1ACD274PDCD1LG2
SCHEMBL3733971 0.78 DRD2 (0.40) MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916777-B ATX inhibitor and preparation method and application thereof 苏州爱科百发生物医药技术有限公司 2024-07-12 CN disclosed
EP-3265456-B1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2020-11-18 EP disclosed
US-RE47493-E1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-09 US disclosed
EP-2863916-B1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 EP disclosed
US-9670166-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-06 US disclosed
EP-2953943-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2017-04-12 EP disclosed
WO-2016144703-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2016-09-15 WO disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-9290459-B1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-22 US disclosed
US-20160060231-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-03-03 US disclosed
US-20160060230-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-03-03 US disclosed
US-9115093-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-25 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 US disclosed
US-20140249129-A1 Substituted Bicyclic Dihydropyrimidinones And Their Use As Inhibitors Of Neutrophil Elastase Activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-04 US disclosed
US-20140221335-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-07 US disclosed
WO-2011076784-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-30 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-20140249129-A1 Substituted Bicyclic Dihydropyrimidinones And Their Use As Inhibitors Of Neutrophil Elastase Activity SERPINB1, ELANE, MPO MTNR1A 4146/4885CD274 1382/4885PDCD1 432/4885
US-20160060230-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO MTNR1A 4146/4885CD274 1382/4885PDCD1 432/4885
US-20140221335-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO MTNR1A 4146/4885CD274 1382/4885PDCD1 432/4885
US-20160060231-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO MTNR1A 4146/4885CD274 1382/4885PDCD1 432/4885
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN MTNR1A 2333/4885CD274 1957/4885PDCD1 1787/4885

“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.