SCHEMBL3078710

SCHEMBL3078710

CC(C)(C)Sc1cccnc1CCN

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HRH1 P35367 3/20 0.38
AOC3 Q16853 1/20 0.38
CHRNA7 P36544 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
HRH2 P25021 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CXCR4 P61073 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3081098 0.90 CYP2A6 (0.40) HTR2AHRH1AOC3CHRNA7ALOX5AP
SCHEMBL3081194 0.86 AOC3 (0.43) HTR2AAOC3ALOX5APFEN1CXCR4
SCHEMBL5489047 0.81 L3MBTL1 (0.40) HTR2AAOC3ALOX5APFEN1L3MBTL1
SCHEMBL13095176 0.80 HRH1 (0.44) HTR2AHRH1CHRNA7HRH2HRH4
SCHEMBL3086519 0.80 SLC22A12 (0.35) CXCR4ALDH1A1
SCHEMBL3079212 0.79 ALDH1A1 (0.48) AOC3CXCR4KDM4EHSD17B10ALDH1A1
SCHEMBL3068375 0.79 AOC3 (0.33) AOC3ALDH1A1L3MBTL1
SCHEMBL5469309 0.77 HRH1 (0.41) HTR2AHRH1CHRNA7HRH2HRH4
SCHEMBL3081118 0.75 SLC22A12 (0.36) AOC3CXCR4ALDH1A1L3MBTL1
SCHEMBL14959709 0.73 PDE5A (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
WO-2010030811-A2 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 WO disclosed
WO-2010030811-A2 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 WO disclosed
WO-2009055696-A1 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2009-04-30 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-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M HTR2A 1186/4885HRH1 143/4885AOC3 4144/4885

“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.