SCHEMBL14551

SCHEMBL14551

O=C1c2ccccc2C(=O)N1CCCCN1CCC(n2cc3c(nc2=O)[nH]c2ccccc23)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
HTR1A P08908 4/20 0.47
HTR7 P34969 2/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47
DRD2 P14416 4/20 0.41
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTR2A P28223 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL12061561 0.88 SLC6A4 (0.43) ADRA1DADRA1AADRA1B
SCHEMBL17484485 0.88 SLC6A4 (0.43) ADRA1DADRA1AADRA1B
SCHEMBL12062415 0.87 CHRM1 (0.48) HTR1ADRD2ALDH1A1
SCHEMBL14077 0.83 SLC6A4 (0.47) ADRA1DADRA1AADRA1BHTR1ADRD3
SCHEMBL13698 0.82 DRD2 (0.37) HTR1ADRD3DRD2ALDH1A1HTR2A
SCHEMBL14035 0.80 SLC6A4 (0.39) HTR7ALDH1A1
SCHEMBL14463 0.79 DRD2 (0.44) DRD3DRD2SIGMAR1
SCHEMBL13799 0.71 CA5A (0.41) ALDH1A1
SCHEMBL5730458 0.68 ADRA1A (1.00) ADRA1DADRA1AADRA1BHTR1AHTR7
SCHEMBL5730515 0.66 ADRA1D (0.69) ADRA1DHTR1AHTR7DRD2HTR2A

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 7 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-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-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
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 ADRA1D 4613/4885ADRA1A 4324/4885ADRA1B 4552/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT ADRA1D 4613/4885ADRA1A 4324/4885ADRA1B 4552/4885

“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.