SCHEMBL17844938

SCHEMBL17844938

CC(C)(C)N(C(=O)O)C1CC(N2CCN(c3nccc4ccccc34)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.50
DPP4 P27487 2/20 0.49
SORD Q00796 2/20 0.47
HCAR2 Q8TDS4 1/20 0.45
HTR2C P28335 1/20 0.44
DPP7 Q9UHL4 1/20 0.41
ACACB O00763 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
PHGDH O43175 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 1/20 0.38
RPLP1 P05386 1/20 0.38
RPLP0 P05388 1/20 0.38
RPS17 P08708 1/20 0.38
RPSA P08865 1/20 0.38
RPS2 P15880 1/20 0.38
RPL35A P18077 1/20 0.38
RPL7 P18124 1/20 0.38
RPL17 P18621 1/20 0.38
RPS4Y1 P22090 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
SCHEMBL17844940 1.00 HRH4 (0.50) HRH4DPP4SORDHCAR2HTR2C
SCHEMBL17844915 0.78 DPP4 (0.52) HRH4DPP4SORDHCAR2HTR2C
SCHEMBL17861369 0.78 HRH4 (0.48) HRH4DPP4SORDHCAR2HTR2C
SCHEMBL17844939 0.76 HRH4 (0.59) HRH4DPP4SORDHCAR2HTR2C
SCHEMBL17844941 0.76 HRH4 (0.59) HRH4DPP4SORDHCAR2HTR2C
SCHEMBL17861370 0.76 HRH4 (0.59) HRH4DPP4SORDHCAR2HTR2C
SCHEMBL1728700 0.74 HRH4 (0.54) HRH4DPP4SORDHCAR2HTR2C
SCHEMBL19753765 0.73 HRH4 (0.53) HRH4DPP4SORDHCAR2HTR2C
SCHEMBL17847581 0.72 DPP4 (0.49) HRH4DPP4SORDHCAR2HTR2C
SCHEMBL17865226 0.72 PDE10A (0.49) HRH4DPP4HCAR2MALT1DRD2

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 HRH4 3875/4885DPP4 23/4885SORD 2344/4885
US-10221144-B2 Antibacterial compounds having broad spectrum of activity MRPL21, ABCG2, CLPP HRH4 3875/4885DPP4 23/4885SORD 2344/4885

“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.