SCHEMBL718764

SCHEMBL718764

CC(C)N1C(=O)CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL21278138 0.94 PIK3CD (0.41) PIK3CDBRD4BRD2SMN1; SMN2CYP2D6
SCHEMBL21500436 0.92 PIK3CD (0.40) PIK3CDBRD4BRD2SMN1; SMN2CYP2D6
SCHEMBL1698550 0.88 SMN1; SMN2 (0.41) PIK3CDBRD4BRD2SMN1; SMN2CYP2D6
SCHEMBL20936142 0.84 PIK3CD (0.35) PIK3CDBRD4BRD2SMN1; SMN2CYP2D6
SCHEMBL22268217 0.80 SMN1; SMN2 (0.36) PIK3CDBRD4BRD2SMN1; SMN2CYP2D6
SCHEMBL9518371 0.79 PIK3CD (0.39) PIK3CDBRD4BRD2SMN1; SMN2CHRM2
SCHEMBL6956406 0.77
SCHEMBL11616266 0.76 GAA (0.32) SMN1; SMN2CYP2D6CYP2C9KMT2AMEN1
SCHEMBL24687672 0.75 BRD4 (0.56) PIK3CDBRD4BRD2SMN1; SMN2CYP2D6
SCHEMBL13722386 0.75 PIK3CD (0.41) PIK3CDBRD4BRD2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed
US-20230366013-A1 SPATIAL SEQUENCING FIRST-CITIZENS BANK & TRUST COMPANY 2023-11-16 US disclosed
US-11795247-B2 Polyolefin dispersants and methods of making and using thereof THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2023-10-24 US disclosed
US-20230303578-A1 PREPARATION METHOD FOR PYRROLOPYRIMIDINE COMPOUND PRIMEGENE (BEIJING) CO., LTD. (CN) 2023-09-28 US disclosed
US-20230234950-A1 CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 US disclosed
EP-4206205-A1 PREPARATION METHOD FOR PYRROLOPYRIMIDINE COMPOUND Primegene (Beijing) Co., Ltd. (CN) 2023-07-05 EP disclosed
WO-2023114516-A2 CELL-PERMEANT INHIBITORS OF VIRAL CYSTEINE PROTEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-06-22 WO disclosed
US-20220289691-A1 5-AMINO-SUBSTITUTED PYRAZOLES AND TRIAZOLES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2022-09-15 US disclosed
WO-2022042577-A1 PREPARATION METHOD FOR PYRROLOPYRIMIDINE COMPOUND 北京普祺医药科技有限公司 2022-03-03 WO disclosed
US-20210347752-A1 BENZAMIDE DERIVATIVES AS CGAS-STING PATHWAY AGONISTS BARUCH S. BLUMBERG INSTITUTE 2021-11-11 US disclosed
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
EP-1892238-A1 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-02-27 EP 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-20230234950-A1 CRBN LIGANDS AND USES THEREOF CRBN, CRKL, ERBB3 PIK3CD 2785/4885BRD4 1883/4885BRD2 1787/4885
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 PIK3CD 1642/4885BRD4 589/4885BRD2 815/4885
US-20220289691-A1 5-AMINO-SUBSTITUTED PYRAZOLES AND TRIAZOLES AS PEST CONTROL AGENTS API5, AAAS, AADAC PIK3CD 2186/4885BRD4 549/4885BRD2 924/4885
US-20230303578-A1 PREPARATION METHOD FOR PYRROLOPYRIMIDINE COMPOUND DPYD, RPLP2, DHPS PIK3CD 993/4885BRD4 1227/4885BRD2 1233/4885
US-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 PIK3CD 2591/4885BRD4 48/4885BRD2 69/4885
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP PIK3CD 1776/4885BRD4 1706/4885BRD2 3235/4885
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP PIK3CD 1776/4885BRD4 1706/4885BRD2 3235/4885
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 PIK3CD 1880/4885BRD4 889/4885BRD2 1846/4885
US-20210347752-A1 BENZAMIDE DERIVATIVES AS CGAS-STING PATHWAY AGONISTS STING1, CGAS, MAVS PIK3CD 997/4885BRD4 291/4885BRD2 209/4885

“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.