Sugi Predict

Sugi Predict / Compounds / SCHEMBL2037798

SCHEMBL2037798

SCHEMBL2037798

COC1(OC)CC(C#N)(c2ccc(Br)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.35
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SLC6A4 P31645 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ WDR5 P61964 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL25382430 0.83 OPRM1 (0.51) OPRM1ALDH1A1LMNAMAPTSLC6A4
SCHEMBL21874180 0.83 ALDH1A1 (0.46) OPRM1KDM4EALDH1A1LMNAMAPT
SCHEMBL16701145 0.83 OPRM1 (0.35) OPRM1KDM4EALDH1A1LMNAMAPT
SCHEMBL13163320 0.82 OPRM1 (0.41) OPRM1ALDH1A1KMT2A
SCHEMBL22832485 0.81 KMT2A (0.42) OPRM1PDE4APDE4BPDE4CPDE4D
SCHEMBL10242347 0.80 OPRM1 (0.38) OPRM1WDR5
SCHEMBL724856 0.77 OPRM1 (0.34) OPRM1WDR5
SCHEMBL25431969 0.76 MEN1 (0.44) ALDH1A1MAPTSLC6A4SLC6A3CYP3A4
SCHEMBL2300 0.75 OPRM1 (0.46) OPRM1ALDH1A1WDR5KMT2A
SCHEMBL29843550 0.75 HCAR3 (0.31) KMT2A

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 51 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
WO-2023165943-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 — — WO disclosed
EP-3661909-B1 NOVEL SUBSTITUTED PHENYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-16 — — EP disclosed
EP-3661909-B1 NOVEL SUBSTITUTED PHENYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-16 — — EP disclosed
EP-3694502-B1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 — — EP disclosed
EP-3694502-B1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 — — EP 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
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
US-8580829-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 — — US disclosed
US-20130116243-A1 INHIBITORS OF AKT ACTIVITY ALMAC DISCOVERY LIMITED (GB) 2013-05-09 — — US disclosed
EP-2516435-A1 INHIBITORS OF AKT ACTIVITY Almac Discovery Limited (GB) 2012-10-31 — — 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
WO-2011077098-A9 INHIBITORS OF AKT ACTIVITY ALMAC DISCOVERY LIMITED (GB) 2012-04-19 — — WO disclosed
WO-2012027322-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-01 — — WO disclosed
WO-2011077098-A1 INHIBITORS OF AKT ACTIVITY ALMAC DISCOVERY LIMITED (GB) 2011-06-30 — — 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 OPRM1 1169/4885PDE4A 479/4885PDE4B 463/4885
US-20130116243-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, AKT3 OPRM1 4433/4885PDE4A 2192/4885PDE4B 2119/4885
US-20120214787-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 OPRM1 1988/4885PDE4A 1111/4885PDE4B 1037/4885
US-20250388536-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS CNR2, CNR1, FAAH2 OPRM1 6/4885PDE4A 2796/4885PDE4B 2745/4885

“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.