SCHEMBL724260

SCHEMBL724260

N#CC1(c2ccc(Br)cc2)CC(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 1/20 0.36
WDR5 P61964 4/20 0.35
OPRM1 P35372 3/20 0.34
HSD11B1 P28845 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL13163463 0.86 HSD11B1 (0.40) MGAT2WDR5OPRM1HSD11B1
SCHEMBL21820652 0.83 WDR5 (0.38) MGAT2WDR5OPRM1HSD11B1NPSR1
SCHEMBL2288499 0.81 PDE4A (0.45) WDR5OPRM1HSD11B1MEN1NPC1
SCHEMBL19212372 0.81 ALDH1A1 (0.39) MGAT2OPRM1HSD11B1NPC1ALDH1A1
SCHEMBL990207 0.81 OPRM1 (0.51) MGAT2OPRM1KMT2A
SCHEMBL24775285 0.81 OPRM1 (0.34) MGAT2WDR5OPRM1
SCHEMBL8097373 0.80 OPRM1 (0.45) OPRM1MEN1NPC1ALDH1A1RAB9A
SCHEMBL2300 0.79 OPRM1 (0.46) WDR5OPRM1MEN1NPC1ALDH1A1
SCHEMBL571854 0.79 MGAT2 (0.38) MGAT2WDR5HSD11B1MEN1ALDH1A1
SCHEMBL21874287 0.77 ALDH1A1 (0.49) MGAT2NPSR1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388536-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS HOFFMANN-LA ROCHE INC. (US) 2025-12-25 US disclosed
EP-4486444-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. Hoffmann-La Roche AG (CH) 2025-01-08 EP disclosed
CN-118871422-A 3-Alkynyl carboxamides as AEP modulators 豪夫迈·罗氏有限公司 2024-10-29 CN disclosed
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-29 US disclosed
EP-4362978-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-05-08 EP disclosed
EP-4261211-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2023-10-18 EP disclosed
WO-2023165943-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 WO disclosed
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 WO disclosed
WO-2022257961-A1 BENZOHETEROCYCLIC COMPOUND FOR TREATING EP2 AND EP4 RECEPTOR-MEDIATED DISEASES 武汉人福创新药物研发中心有限公司 2022-12-15 WO disclosed
EP-2609092-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-04-01 EP disclosed
US-8580829-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 US disclosed
US-8580829-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 US disclosed
US-8580829-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 US disclosed
EP-2609092-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2013-07-03 EP disclosed
US-20120214787-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214787-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214787-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012027322-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 WO disclosed
US-20100234409-A1 Amino cyclopentyl heterocyclic and carbocyclic modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2010-09-16 US disclosed
US-20100234409-A1 Amino cyclopentyl heterocyclic and carbocyclic modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2010-09-16 US 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-20100234409-A1 Amino cyclopentyl heterocyclic and carbocyclic modulators of chemokine receptor activity CXCR3, CXCR1, CCR2 MGAT2 3025/4885WDR5 3071/4885OPRM1 1169/4885
US-20120214787-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 MGAT2 2951/4885WDR5 2214/4885OPRM1 1988/4885
US-20250388536-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS CNR2, CNR1, FAAH2 MGAT2 1739/4885WDR5 3532/4885OPRM1 6/4885
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN MGAT2 3257/4885WDR5 4022/4885OPRM1 3433/4885

“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.