SCHEMBL823169

SCHEMBL823169

CC(C)C(=O)NCCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
PAOX Q6QHF9 3/20 0.48
GNAI3 P08754 1/20 0.47
GNAO1 P09471 1/20 0.47
GNAI1 P63096 1/20 0.47
DPP7 Q9UHL4 2/20 0.47
RRM1 P23921 1/20 0.46
SIRT6 Q8N6T7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
ALDH1A2 O94788 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALDH2 P05091 1/20 0.41
ALDH1A3 P47895 1/20 0.41
GRIA1 P42261 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
NOS1 P29475 1/20 0.38

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
SCHEMBL11650885 0.93 PAOX (0.57) CYP2D6CYP2C9CYP2C19KMT2APAOX
SCHEMBL22171084 0.92 PAOX (0.47) CYP2D6CYP2C9CYP2C19KMT2APAOX
SCHEMBL22171086 0.92 PAOX (0.47) CYP2D6CYP2C9CYP2C19KMT2APAOX
SCHEMBL15858573 0.91 PAOX (0.61) CYP2D6CYP2C9CYP2C19KMT2APAOX
SCHEMBL14228092 0.91 PAOX (0.61) CYP2D6CYP2C9CYP2C19KMT2APAOX
SCHEMBL17175237 0.91 PAOX (0.61) CYP2D6CYP2C9CYP2C19KMT2APAOX
SCHEMBL22203843 0.90 PAOX (0.50) CYP2C9CYP2C19KMT2APAOXGNAI3
SCHEMBL3088754 0.86
SCHEMBL861034 0.85 KMT2A (0.57) CYP2D6CYP2C9CYP2C19KMT2ADPP7
SCHEMBL22917014 0.85 KMT2A (0.57) CYP2D6CYP2C9CYP2C19KMT2ADPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2024-02-29 US disclosed
US-20230399322-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. 2023-12-14 US disclosed
US-20230399322-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. 2023-12-14 US disclosed
US-11753403-B2 EIF4E inhibitors and uses thereof PIC Therapeutics, Inc. (US) 2023-09-12 US disclosed
US-11753403-B2 EIF4E inhibitors and uses thereof PIC Therapeutics, Inc. (US) 2023-09-12 US disclosed
WO-2023073711-A1 COLLAGEN-CONTAINING CURABLE FORMULATIONS COLLPLANT LTD. (IL) 2023-05-04 WO disclosed
WO-2022087317-A1 THIOHYDROXYPYRIDINE CHELATES LUMIPHORE, INC. (US) 2022-04-28 WO disclosed
EP-3129350-B1 MACROCYCLES LUMIPHORE INC (US) 2021-10-27 EP disclosed
US-11130865-B2 Rhodamine dyes and conjugates PHARMACOPHOTONICS, INC. (US) 2021-09-28 US disclosed
WO-2021178488-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. (US) 2021-09-10 WO disclosed
US-7939664-B2 Pyridinium boronic acid quenchers for use in analyte sensors GLUMETRICS INC. (US) 2011-05-10 US disclosed
US-20080305009-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS INC. (US) 2008-12-11 US disclosed
US-20080305009-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS GLUMETRICS INC. (US) 2008-12-11 US disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 US disclosed
US-4387099-A Alkanolamine derivatives IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-06-07 US disclosed
US-4327113-A DRUGS FOR TREATMENT OF HEART DISEASES, ADRENERGIC BLOCKING AGENTS, ETC IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-04-27 US disclosed
US-4260632-A ADRENERGIC BLOCKING AGENTS, CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-04-07 US disclosed
US-4221807-A ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-09-09 US disclosed
US-4141987-A HYPOTENSIVE, ADRENERGIC BLOCKING AGENT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-02-27 US disclosed
US-4131685-A ADRENERGIC BLOCKING AGENT, CARDIAC STIMULANT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-12-26 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 (6 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-20230399322-A1 EIF4E INHIBITORS AND USES THEREOF EIF4E, EIF4EBP1, EIF4A1 CYP2D6 4673/4885CYP2C9 4755/4885CYP2C19 4692/4885
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 CYP2D6 3692/4885CYP2C9 4446/4885CYP2C19 4508/4885
US-11130865-B2 Rhodamine dyes and conjugates RCN1, RDX, CIT CYP2D6 324/4885CYP2C9 656/4885CYP2C19 557/4885
US-11753403-B2 EIF4E inhibitors and uses thereof EIF4E, EIF4EBP1, EIF4A1 CYP2D6 4673/4885CYP2C9 4755/4885CYP2C19 4692/4885
US-20080305009-A1 PYRIDINIUM BORONIC ACID QUENCHERS FOR USE IN ANALYTE SENSORS BLVRB, PDXK, PNPO CYP2D6 976/4885CYP2C9 2993/4885CYP2C19 3935/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR CYP2D6 3845/4885CYP2C9 4546/4885CYP2C19 3989/4885

“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.