SCHEMBL11960652

SCHEMBL11960652

CCCCN1CCC(NC(N)=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.57
EPHX2 P34913 3/20 0.57
CCR1 P32246 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR4 Q13639 2/20 0.46
LTA4H P09960 1/20 0.45
GNAI3 P08754 3/20 0.45
GNAO1 P09471 3/20 0.45
GNAI1 P63096 3/20 0.45
SLC6A5 Q9Y345 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BCHE P06276 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL27669922 0.94 GNAI3 (0.54) EPHX1EPHX2CCR1HTR4GNAI3
SCHEMBL8971499 0.84 PAOX (0.46) EPHX1EPHX2L3MBTL1LTA4HSMN1; SMN2
SCHEMBL27348781 0.82 SMN1; SMN2 (0.58) EPHX1EPHX2L3MBTL1HTR4LTA4H
SCHEMBL27570291 0.81 LTA4H (0.48) EPHX1EPHX2L3MBTL1HTR4LTA4H
SCHEMBL27517725 0.79 LTA4H (0.53) HTR4LTA4HMEN1KMT2ASMN1; SMN2
SCHEMBL27688983 0.79 PARP1 (0.49) EPHX1EPHX2L3MBTL1LTA4HSMN1; SMN2
SCHEMBL20970613 0.78 EPHX1 (0.59) EPHX1EPHX2CCR1MEN1KMT2A
SCHEMBL5227695 0.77 SMN1; SMN2 (0.67) EPHX1EPHX2L3MBTL1GNAI3GNAO1
SCHEMBL14450366 0.77 EPHX1 (0.51) EPHX1EPHX2CCR1L3MBTL1HTR4
SCHEMBL2858477 0.77 LTA4H (0.44) EPHX1EPHX2L3MBTL1LTA4HMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same SILICON VALLEY BANK 2017-11-09 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 2356/4885EPHX2 3007/4885CCR1 2321/4885
US-20120202792-A1 Antimicrobial Compounds and Methods of Making and Using the Same LPO, MPO, CAT EPHX1 2356/4885EPHX2 3007/4885CCR1 2321/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT EPHX1 2356/4885EPHX2 3007/4885CCR1 2321/4885

“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.