SCHEMBL17844982

SCHEMBL17844982

CC(C)(C)OC(=O)NCCCN1CCN(c2nccc3ccccc23)CC1CO

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.45
DRD4 P21917 1/20 0.45
HRH4 Q9H3N8 1/20 0.42
ACHE P22303 1/20 0.41
DRD3 P35462 3/20 0.40
FAAH O00519 2/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL19753767 0.98 DRD2 (0.47) DRD2DRD4HRH4DRD3FAAH
SCHEMBL17865119 0.92 DRD2 (0.43) DRD2DRD4HRH4ACHEDRD3
SCHEMBL17844905 0.88 DRD2 (0.46) DRD2DRD4HRH4DRD3FAAH
SCHEMBL17861489 0.88 DRD2 (0.44) DRD2DRD4HRH4DRD3FAAH
SCHEMBL19753768 0.86 DRD2 (0.49) DRD2DRD4HRH4DRD3FAAH
SCHEMBL17861451 0.85 DRD2 (0.60) DRD2DRD4HRH4DRD3FAAH
SCHEMBL17865234 0.81 DRD2 (0.46) DRD2DRD4HRH4DRD3FAAH
SCHEMBL17861453 0.79 HRH4 (0.49) DRD2DRD4HRH4ACHE
SCHEMBL17865142 0.77 SIGMAR1 (0.53) DRD2DRD4HRH4ACHE
SCHEMBL17845011 0.75 DRD2 (0.45) DRD2DRD4HRH4DRD3

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
EP-3233827-B1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY ACRAF (IT) 2020-07-08 EP disclosed
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
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 DRD2 2706/4885DRD4 1626/4885HRH4 3875/4885
US-10221144-B2 Antibacterial compounds having broad spectrum of activity MRPL21, ABCG2, CLPP DRD2 2706/4885DRD4 1626/4885HRH4 3875/4885

“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.