SCHEMBL39764

SCHEMBL39764

CNCCN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.50
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TLR8 Q9NR97 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 2/20 0.43
EPHX1 P07099 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL21997274 0.91 ACKR3 (0.50) ACKR3USP2SMN1; SMN2TLR8CHRM2
SCHEMBL8242595 0.86 USP2 (0.61) ACKR3USP2SMN1; SMN2TLR8CHRM2
SCHEMBL28385131 0.86 ACKR3 (0.49) ACKR3USP2SMN1; SMN2TLR8CHRM2
SCHEMBL14768742 0.86 ACKR3 (0.49) ACKR3USP2SMN1; SMN2TLR8CHRM2
SCHEMBL15259105 0.84 ACKR3 (0.54) ACKR3USP2SMN1; SMN2TLR8CHRM2
SCHEMBL24485692 0.83 ACKR3 (0.41) ACKR3USP2SMN1; SMN2TLR8CHRM2
SCHEMBL20458843 0.83 USP2 (0.50) ACKR3USP2SMN1; SMN2CHRM2CHRM4
SCHEMBL16995350 0.83 ACKR3 (0.47) ACKR3USP2SMN1; SMN2TLR8CHRM2
SCHEMBL24344981 0.83 ACKR3 (0.53) ACKR3USP2SMN1; SMN2TLR8CHRM2
SCHEMBL20873847 0.83 USP2 (0.53) ACKR3USP2SMN1; SMN2TLR8CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468953-B1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE IP DEV LTD (GB) 2024-05-22 EP disclosed
EP-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 EP disclosed
WO-2022255764-A1 NOVEL OXAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME FOR PREVENTION OR TREATMENT OF ALLERGIC DISEASE 주식회사 에즈큐리스 2022-12-08 WO disclosed
US-20220169628-A1 THERAPEUTIC AGENTS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-06-02 US disclosed
CN-109563043-B Substituted pyridines as inhibitors of DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2022-05-31 CN disclosed
US-20220009933-A1 NOVEL TRICYCLIC COMPOUND AS IRAK4 INHIBITOR KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-01-13 US disclosed
CN-113660937-A Therapeutic agents and methods of treatment 佛罗里达大学研究基金公司 2021-11-16 CN disclosed
US-10717731-B2 Nitrogen-containing aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-07-21 US disclosed
WO-2017216727-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
WO-2017216726-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-10-01 US disclosed
US-7521445-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-04-21 US disclosed
US-7521445-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-04-21 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-07-12 US disclosed
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-07-12 US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (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-10717731-B2 Nitrogen-containing aromatic heterocyclic compound REN, NR3C2, NR5A1 ACKR3 1123/4885USP2 4234/4885SMN1; SMN2 4151/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ACKR3 144/4885USP2 3074/4885SMN1; SMN2 3985/4885
US-20220009933-A1 NOVEL TRICYCLIC COMPOUND AS IRAK4 INHIBITOR IRAK4, IRAK1, IRAK2 ACKR3 2026/4885USP2 1445/4885SMN1; SMN2 2228/4885
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands DRD3, DRD2, HTR3C ACKR3 61/4885USP2 3895/4885SMN1; SMN2 2151/4885
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, HTR3C ACKR3 62/4885USP2 3906/4885SMN1; SMN2 2313/4885
US-20220169628-A1 THERAPEUTIC AGENTS AND METHODS OF TREATMENT HDGF, NFATC1, HGF ACKR3 1923/4885USP2 3671/4885SMN1; SMN2 770/4885

“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.