SCHEMBL8230248

SCHEMBL8230248

CC(C)(C)CC(=O)NC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.53
GNAI3 P08754 1/20 0.53
GNAO1 P09471 1/20 0.53
GNAI1 P63096 1/20 0.53
POLB P06746 1/20 0.48
HSD11B1 P28845 3/20 0.44
CHRM3 P20309 2/20 0.42
CHRM5 P08912 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SSTR1 P30872 1/20 0.40
SSTR4 P31391 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL23518575 0.86 HSD11B1 (0.54) EPHX1HSD11B1MEN1KMT2AHDAC3
SCHEMBL1515374 0.86 HSD11B1 (0.54) EPHX1HSD11B1MEN1KMT2AHDAC3
SCHEMBL23518502 0.86 HSD11B1 (0.54) EPHX1HSD11B1MEN1KMT2AHDAC3
SCHEMBL20124183 0.86 EPHX1 (0.50) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL12336001 0.84 GNAI3 (0.53) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL2625523 0.82 SMN1; SMN2 (0.50) EPHX1HSD11B1MEN1KMT2AHDAC3
SCHEMBL2625524 0.82 SMN1; SMN2 (0.55) EPHX1HSD11B1MEN1KMT2AHDAC3
SCHEMBL9124247 0.81 HPGD (0.56) EPHX1MEN1KMT2AEPHX2HDAC3
SCHEMBL18531851 0.80 GNAI3 (0.60) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL12308796 0.80 GNAI3 (0.46) EPHX1GNAI3GNAO1GNAI1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10259825-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2019-04-16 US disclosed
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same SILICON VALLEY BANK 2017-11-09 US disclosed
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same SILICON VALLEY BANK 2017-11-09 US disclosed
EP-2920183-B1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-03-08 EP disclosed
US-9573962-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-02-21 US disclosed
US-9573962-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-02-21 US disclosed
US-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2015-10-01 US disclosed
US-9023843-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-05-05 US disclosed
US-20120202792-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
WO-2008009735-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed
WO-2007036733-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-05 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 (4 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-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME LPO, MPO, CAT EPHX1 2356/4885GNAI3 3618/4885GNAO1 4319/4885
US-10259825-B2 Antimicrobial compounds and methods of making and using the same LPO, MPO, CAT EPHX1 2356/4885GNAI3 3618/4885GNAO1 4319/4885
US-20120202792-A1 Antimicrobial Compounds and Methods of Making and Using the Same LPO, MPO, CAT EPHX1 2356/4885GNAI3 3618/4885GNAO1 4319/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT EPHX1 2356/4885GNAI3 3618/4885GNAO1 4319/4885

“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.