SCHEMBL17844915

SCHEMBL17844915

O=C(O)NC1CC(N2CCN(c3nccc4ccccc34)CC2)C1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.52
HRH4 Q9H3N8 1/20 0.51
HCAR2 Q8TDS4 1/20 0.51
HTR2C P28335 1/20 0.48
SORD Q00796 2/20 0.47
PHGDH O43175 1/20 0.44
ACACB O00763 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
DRD2 P14416 3/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 1/20 0.40
DPP7 Q9UHL4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 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
SCHEMBL17847581 0.91 DPP4 (0.49) DPP4HRH4HCAR2HTR2CSORD
SCHEMBL17861369 0.85 HRH4 (0.48) DPP4HRH4HCAR2HTR2CSORD
SCHEMBL19753765 0.81 HRH4 (0.53) DPP4HRH4HCAR2HTR2CSORD
SCHEMBL17844939 0.79 HRH4 (0.59) DPP4HRH4HCAR2HTR2CSORD
SCHEMBL17844941 0.79 HRH4 (0.59) DPP4HRH4HCAR2HTR2CSORD
SCHEMBL17861370 0.79 HRH4 (0.59) DPP4HRH4HCAR2HTR2CSORD
SCHEMBL17844938 0.78 HRH4 (0.50) DPP4HRH4HCAR2HTR2CSORD
SCHEMBL17844940 0.78 HRH4 (0.50) DPP4HRH4HCAR2HTR2CSORD
SCHEMBL17865226 0.77 PDE10A (0.49) DPP4HRH4HCAR2MALT1DRD2
SCHEMBL1728699 0.75 HRH4 (0.51) DPP4HRH4HCAR2HTR2CSORD

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
EP-3233827-B1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY ACRAF (IT) 2020-07-08 EP disclosed
US-10221144-B2 Antibacterial compounds having broad spectrum of activity AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-03-05 US disclosed
US-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 US disclosed
EP-3233827-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2017-10-25 EP disclosed
WO-2016096686-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 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-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY MRPL21, ABCG2, CLPP DPP4 23/4885HRH4 3875/4885HCAR2 4257/4885
US-10221144-B2 Antibacterial compounds having broad spectrum of activity MRPL21, ABCG2, CLPP DPP4 23/4885HRH4 3875/4885HCAR2 4257/4885

“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.