SCHEMBL9038

SCHEMBL9038

CC(C)(C)OC(=O)NN1CCC(n2cc3c(nc2=O)[nH]c2ccccc23)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PARP1 P09874 5/20 0.36
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OGFRL1 Q5TC84 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35

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
SCHEMBL14463 0.81 DRD2 (0.44) ADRA2C
SCHEMBL14574 0.76 DRD2 (0.36) ADRA2C
SCHEMBL14539 0.74 ADRA2C (0.36) MEN1KMT2AADRA2C
SCHEMBL13800 0.73 HTR6 (0.43) EGFRSRCNPC1RAB9A
SCHEMBL7550 0.71 PDE5A (0.34) PARP1PRKCBADRA1ANPC1RAB9A
SCHEMBL12062415 0.71 CHRM1 (0.48) NPC1RAB9A
SCHEMBL13799 0.70 CA5A (0.41) MEN1KMT2APARP1NPC1GAA
SCHEMBL12061561 0.70 SLC6A4 (0.43) MEN1KMT2APARP1ADRA1A
SCHEMBL14551 0.67 ADRA1D (0.52) ADRA1A
SCHEMBL14077 0.67 SLC6A4 (0.47) MEN1KMT2APARP1ADRA1A

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-3406613-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Melinta Therapeutics, Inc. (US) 2018-11-28 EP disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
EP-2488525-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Rib-X Pharmaceuticals, Inc. (US) 2012-08-22 EP disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 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 (2 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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT MEN1 3118/4885KMT2A 4518/4885PARP1 1324/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT MEN1 3118/4885KMT2A 4518/4885PARP1 1324/4885

“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.