SCHEMBL3888064

SCHEMBL3888064

CC(C)(C)N(C(=O)O)C1CCN(CCN)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.38
GNAO1 P09471 2/20 0.38
GNAI1 P63096 2/20 0.38
OPRD1 P41143 2/20 0.38
CCR5 P51681 2/20 0.36
ALOX15 P16050 1/20 0.36
OPRM1 P35372 7/20 0.36
PRMT3 O60678 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT1 Q99873 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
CHRM3 P20309 3/20 0.33
CHRM1 P11229 2/20 0.33
SLC22A1 O15245 1/20 0.33
NR1I2 O75469 1/20 0.33
ABCB1 P08183 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL17095965 0.88 OPRM1 (0.39) OPRD1CCR5OPRM1CHRM3CHRM1
SCHEMBL707384 0.86 SLC18A3 (0.38) OPRD1CCR5OPRM1CHRM3CHRM1
SCHEMBL3839394 0.84 TP53 (0.37) OPRD1CCR5OPRM1CHRM3CHRM1
SCHEMBL1305394 0.82 SMN1; SMN2 (0.44) OPRM1CHRM3SIGMAR1CHRM2
SCHEMBL2002141 0.81 ALDH1A1 (0.42) CCR5OPRM1POLB
SCHEMBL1305914 0.80 KDM4E (0.36) CHRM3CHRM1POLB
SCHEMBL28851436 0.79 UBE2M (0.38) DRD2HRH1SIGMAR1
SCHEMBL1430766 0.79 PRMT3 (0.40) GNAI3GNAO1GNAI1OPRD1CCR5
SCHEMBL4270991 0.79 CCR5 (0.44) GNAI3GNAO1GNAI1OPRD1CCR5
SCHEMBL17095677 0.78 OPRM1 (0.40) CCR5OPRM1KCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024019916-A2 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2024-01-25 WO disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO 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 (1 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ GNAI3 983/4885GNAO1 823/4885GNAI1 871/4885

“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.