SCHEMBL14463

SCHEMBL14463

CC(C)(C)OC(=O)NCCCCN1CCC(n2cc3c(nc2=O)[nH]c2ccccc23)C1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.44
CAMK2D Q13557 1/20 0.41
ADRA2C P18825 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
FAAH O00519 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL8076 0.84 DRD2 (0.37) DRD2DRD3
SCHEMBL12061561 0.82 SLC6A4 (0.43)
SCHEMBL14551 0.79 ADRA1D (0.52) DRD2SIGMAR1DRD3
SCHEMBL14077 0.77 SLC6A4 (0.47) DRD2DRD3
SCHEMBL6133832 0.71 CCR2 (0.66)
SCHEMBL5705202 0.68 DRD2 (0.54) DRD2SIGMAR1
SCHEMBL13799 0.68 CA5A (0.41)
SCHEMBL6848950 0.67 DRD2 (0.55) DRD2SIGMAR1FAAHDRD3
SCHEMBL7386808 0.67 BCHE (0.57) DRD2
SCHEMBL7388282 0.67 BCHE (0.57) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 DRD2 2468/4885CAMK2D 4636/4885ADRA2C 4387/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT DRD2 2468/4885CAMK2D 4636/4885ADRA2C 4387/4885

“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.