Sugi Predict

Sugi Predict / Compounds / SCHEMBL700399

SCHEMBL700399

SCHEMBL700399

O=C(O)N1CCCC12CCNCC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 6/20 0.41
▸ CNR2 P34972 1/20 0.37
▸ CYP1A2 P05177 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CA2 P00918 1/20 0.32
▸ CHKA P35790 1/20 0.32
▸ ADRA2C P18825 1/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ SOS1 Q07889 1/20 0.31
▸ SOS2 Q07890 1/20 0.31
▸ JAK1 P23458 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
SCHEMBL18320297 0.94 NAMPT (0.38) NAMPTCNR2CYP1A2CYP3A4CA2
Hydrochloric Acid SCHEMBL20135742 0.92 NAMPT (0.37) NAMPTCNR2CYP1A2CYP3A4CA2
SCHEMBL1771082 0.89 NAMPT (0.43) NAMPTCNR2CYP1A2CYP3A4SOS1
SCHEMBL15758654 0.88 CYP1A2 (0.33) NAMPTCYP1A2CA2CHKACYP2D6
SCHEMBL30893978 0.85 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL15751177 0.85 SCD (0.33) HCRTR1HCRTR2
SCHEMBL29998084 0.85 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL20744448 0.83 SOS1 (0.43) NAMPTSOS1SOS2JAK1
SCHEMBL30875892 0.82 NAMPT (0.40) NAMPTCNR2CYP1A2CYP3A4CA2
SCHEMBL22409351 0.82 SOS1 (0.35) NAMPTSOS1SOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024168004-A1 BIARYL AMIDE-CONTAINING AGONISTS OF OREXIN RECEPTOR TYPE 2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-08-15 — — WO disclosed
US-20240199581-A1 THERAPEUTICS FOR THE DEGRADATION OF MUTANT BRAF C4 THERAPEUTICS, INC. (US) 2024-06-20 — — US disclosed
CN-117813306-A Heterocyclic compounds as KRAS inhibitors, their preparation and therapeutic use 上海科州药物研发有限公司 2024-04-02 — — CN disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 — — US disclosed
EP-3541820-B1 MAGL INHIBITORS H LUNDBECK AS (DK) 2023-07-05 — — EP disclosed
US-11691975-B2 MAGL inhibitors H. LUNDBECKA/S (DK) 2023-07-04 — — US disclosed
WO-2022247760-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR, AND PREPARATION THEREFOR AND USE THEREOF IN TREATMENT 上海科州药物研发有限公司 2022-12-01 — — WO disclosed
WO-2022166642-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF 北京志健金瑞生物医药科技有限公司 2022-08-11 — — WO disclosed
US-20220135563-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2022-05-05 — — US disclosed
US-11059822-B2 MAGL inhibitors H. LUNDBECK A/S (DK) 2021-07-13 — — US disclosed
US-20090209566-A1 Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-08-20 — — US disclosed
US-20090176789-A1 Diazaspirodecane orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-07-09 — — US disclosed
EP-1954698-B1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO INC (US) 2009-06-24 — — EP disclosed
US-7544695-B2 Spirocyclic compounds MERCK & CO., INC. (US) 2009-06-09 — — US disclosed
WO-2009067392-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-28 — — WO disclosed
US-20090130056-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 — — US disclosed
EP-1954698-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS Merck & Co., Inc. (US) 2008-08-13 — — EP disclosed
WO-2007061978-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 — — WO disclosed
WO-2007061880-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 — — WO disclosed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 — — 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 (9 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-20240199581-A1 THERAPEUTICS FOR THE DEGRADATION OF MUTANT BRAF BRAF, NRAS, KRAS NAMPT 819/4885CNR2 4619/4885CYP1A2 3980/4885
US-11059822-B2 MAGL inhibitors MAG, MAGI3, MGLL NAMPT 1514/4885CNR2 22/4885CYP1A2 4273/4885
US-20220135563-A1 MAGL INHIBITORS MAG, MAGI3, MGLL NAMPT 1514/4885CNR2 22/4885CYP1A2 4273/4885
US-20090130056-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 NAMPT 938/4885CNR2 1630/4885CYP1A2 105/4885
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF NAMPT 1705/4885CNR2 3326/4885CYP1A2 1599/4885
US-20090209566-A1 Spirocyclic Compounds NR1H2, RORA, NR2E3 NAMPT 1558/4885CNR2 286/4885CYP1A2 1093/4885
US-11691975-B2 MAGL inhibitors MAG, MAGI3, MGLL NAMPT 1514/4885CNR2 22/4885CYP1A2 4273/4885
US-20070117824-A1 Spirocyclic compounds BRDT, TXNRD3, HDAC1 NAMPT 525/4885CNR2 1739/4885CYP1A2 3103/4885
US-20090176789-A1 Diazaspirodecane orexin receptor antagonists HCRTR2, HCRTR1, OXTR NAMPT 1350/4885CNR2 30/4885CYP1A2 3591/4885

“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.