SCHEMBL3548683

SCHEMBL3548683

CCOC(=O)c1cc2n(n1)CCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PIK3CA P42336 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MGLL Q99685 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FAAH O00519 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36

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
SCHEMBL23645428 0.96 RAB9A (0.41) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL5848830 0.92 CYP1A2 (0.41) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL13118705 0.83 CYP1A2 (0.42) NPC1RAB9AKDM4EKMT2ACYP1A2
SCHEMBL23645356 0.80 FAAH (0.39) NPC1RAB9AKDM4EKMT2ACYP1A2
SCHEMBL30298713 0.78 KMT2A (0.38) KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL30298716 0.78 KMT2A (0.38) KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL21055816 0.77 MGLL (0.39) MGLLL3MBTL1LMNA
SCHEMBL19299941 0.76 KMT2A (0.41) KDM4EKMT2ACYP1A2PIK3CAALDH1A1
SCHEMBL2929174 0.76 NPC1 (0.41) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL22275584 0.76 ALDH1A1 (0.40) KDM4EKMT2ACYP1A2ADORA3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12319703-B2 Macrocyclic fused pyrazoles as Mcl-1 inhibitors ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2025-06-03 US disclosed
CN-118434744-A Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-08-02 CN disclosed
US-20230270751-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION PFIZER INC. 2023-08-31 US disclosed
US-20230270751-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION PFIZER INC. 2023-08-31 US disclosed
CN-116075516-A Benzodiazepine derivatives useful for the treatment of respiratory syncytial virus infection 辉瑞大药厂 2023-05-05 CN disclosed
US-20220396587-A1 MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-12-15 US disclosed
US-20220396587-A1 MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-12-15 US disclosed
CN-113429410-B Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof 上海海雁医药科技有限公司 2022-10-04 CN disclosed
CN-113429410-A Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof 上海海雁医药科技有限公司 2021-09-24 CN disclosed
US-10738063-B2 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide compounds PFIZER INC. (US) 2020-08-11 US disclosed
US-20190055262-A1 6,7-DIHYDRO-5H-PYRAZOLO[5,1-B][1,3]OXAZINE-2-CARBOXAMIDE COMPOUNDS PFIZER INC. (US) 2019-02-21 US disclosed
EP-3419979-A1 6,7-DIHYDRO-5H-PYRAZOLO[5,1-B][1,3]OXAZINE-2-CARBOXAMIDE COMPOUNDS Pfizer Inc (US) 2019-01-02 EP disclosed
WO-2017145013-A1 6,7-DIHYDRO-5H-PYRAZOLO[5,1-B][1,3]OXAZINE-2-CARBOXAMIDE COMPOUNDS PFIZER INC. (US) 2017-08-31 WO disclosed
WO-2017145013-A1 6,7-DIHYDRO-5H-PYRAZOLO[5,1-B][1,3]OXAZINE-2-CARBOXAMIDE COMPOUNDS PFIZER INC. (US) 2017-08-31 WO disclosed
US-7812014-B2 Bicyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-10-12 US disclosed
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-18 US disclosed
EP-1988093-A1 Bicyclic 6-alkylidene-penems as beta-lactamases inhibitors Wyeth a Corporation of the State of Delaware (US) 2008-11-05 EP disclosed
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 US disclosed
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH (US) 2006-09-28 US disclosed
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 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-20040132708-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 NPC1 800/4885RAB9A 1712/4885KDM4E 1977/4885
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, MGAM, PGLS NPC1 2612/4885RAB9A 926/4885KDM4E 431/4885
US-20230270751-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION CNR1, CNR2, SIGMAR1 NPC1 558/4885RAB9A 1644/4885KDM4E 3611/4885
US-20220396587-A1 MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS MCL1, BCL2A1, BCL2L1 NPC1 1940/4885RAB9A 1256/4885KDM4E 2326/4885
US-20190055262-A1 6,7-DIHYDRO-5H-PYRAZOLO[5,1-B][1,3]OXAZINE-2-CARBOXAMIDE COMPOUNDS CYP3A5, CYP3A7, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NPC1 762/4885RAB9A 2161/4885KDM4E 1048/4885
US-12319703-B2 Macrocyclic fused pyrazoles as Mcl-1 inhibitors MCL1, BCL2A1, BCL2L1 NPC1 1563/4885RAB9A 1471/4885KDM4E 2442/4885
US-10738063-B2 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide compounds PDE4B, PDE5A, PDE3B NPC1 3349/4885RAB9A 1379/4885KDM4E 288/4885
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, BPGM, B2M NPC1 1707/4885RAB9A 2043/4885KDM4E 1114/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M NPC1 2248/4885RAB9A 1648/4885KDM4E 916/4885

“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.