SCHEMBL2919331

SCHEMBL2919331

COc1ccccc1CN1CC(S)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54
CHRM5 P08912 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.51
USP2 O75604 2/20 0.50
CYP2D6 P10635 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
HSD17B10 Q99714 1/20 0.49
KCNH2 Q12809 1/20 0.49
CXCR4 P61073 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
EED O75530 1/20 0.47
TACR1 P25103 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL2919640 0.83 MEN1 (0.56) GNAI3CHRM2CHRM4CHRM5CHRM1
SCHEMBL27536711 0.81 GNAI3 (0.55) GNAI3CHRM2CHRM4CHRM5CHRM1
SCHEMBL2922060 0.78 GNAI3 (0.49) GNAI3CHRM2CHRM4CHRM5CHRM1
SCHEMBL13284339 0.77 MEN1 (0.79) GNAI3CHRM2CHRM4CHRM5CHRM1
SCHEMBL13284337 0.76 CHRM2 (0.60) GNAI3CHRM2CHRM4CHRM5CHRM1
SCHEMBL12856249 0.76 MEN1 (0.72) GNAI3CHRM2CHRM4CHRM5CHRM1
SCHEMBL3161038 0.76 MEN1 (0.82) GNAI3CHRM2CHRM4CHRM5CHRM1
SCHEMBL12013923 0.75 CHRM2 (0.68) GNAI3CHRM2CHRM4CHRM5CHRM1
SCHEMBL17967828 0.75 CHRM2 (0.59) GNAI3CHRM2CHRM4CHRM5CHRM1
SCHEMBL10516853 0.75 CHRM2 (0.59) GNAI3CHRM2CHRM4CHRM5CHRM1

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
EP-1784407-B1 2-ARYLMETHYLAZETIDINE CARBAPENEM DERIVATIVES AND PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2010-09-08 EP disclosed
US-7662810-B2 Potassium(1R,5S,6S)-2-(1-benzyl-azetidine-3-yl-thio)-6-[(1R)-1-hydroxyethyl]-1-methylcarbapen-2-em-3-carboxylate; antibacterial activities against Grampositive and Gramnegative bacteria and excellent antibacterial activities against resistant bacteria such as methicillin resistant Staphylococcus aureus KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-02-16 US disclosed
EP-1784407-A4 2-ARYLMETHYLAZETIDINE CARBAPENEM DERIVATIVES AND PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2009-02-11 EP disclosed
US-20070244089-A1 2- Arylmethylazetidine Carbapenem Derivatives and Preparation Thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-10-18 US disclosed
EP-1784407-A1 2-ARYLMETHYLAZETIDINE CARBAPENEM DERIVATIVES AND PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2007-05-16 EP disclosed
WO-2006025634-A1 2-ARYLMETHYLAZETIDINE CARBAPENEM DERIVATIVES AND PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 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-20070244089-A1 2- Arylmethylazetidine Carbapenem Derivatives and Preparation Thereof SCN9A, SCN2A, SCN5A GNAI3 1247/4885CHRM2 3960/4885CHRM4 4420/4885

“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.