SCHEMBL17844941

SCHEMBL17844941

NC1CC(N2CCN(c3nccc4ccccc34)CC2)C1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.59
HTR2C P28335 1/20 0.56
SORD Q00796 2/20 0.51
DPP4 P27487 2/20 0.51
HRH1 P35367 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
PHGDH O43175 1/20 0.42
AXL P30530 1/20 0.41
DPP7 Q9UHL4 1/20 0.39
ACHE P22303 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
SCHEMBL17844939 1.00 HRH4 (0.59) HRH4HTR2CSORDDPP4HRH1
SCHEMBL17861370 1.00 HRH4 (0.59) HRH4HTR2CSORDDPP4HRH1
SCHEMBL17847507 0.89 HRH4 (0.53) HRH4HTR2CSORDDPP4HRH1
SCHEMBL4015416 0.81 HRH4 (0.63) HRH4HTR2CSORDDPP4HRH3
SCHEMBL17844915 0.79 DPP4 (0.52) HRH4HTR2CSORDDPP4HCAR2
SCHEMBL19753765 0.78 HRH4 (0.53) HRH4HTR2CSORDDPP4HRH1
SCHEMBL8762631 0.78 HRH4 (0.56) HRH4HTR2CSORDDPP4HRH1
SCHEMBL8762637 0.78 HRH4 (0.56) HRH4HTR2CSORDDPP4HRH1
SCHEMBL8763960 0.78 HRH4 (0.56) HRH4HTR2CSORDDPP4HRH1
SCHEMBL17847550 0.77 HRH4 (0.54) HRH4HTR2CSORDDPP4HRH1

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 3875/4885HTR2C 4745/4885SORD 2344/4885
US-10221144-B2 Antibacterial compounds having broad spectrum of activity MRPL21, ABCG2, CLPP HRH4 3875/4885HTR2C 4745/4885SORD 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.