SCHEMBL17865228

SCHEMBL17865228

CN(CCCN1CCN(c2nccc3ccccc23)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ HRH4 Q9H3N8 1/20 0.49
▸ DRD3 P35462 3/20 0.45
▸ SORD Q00796 1/20 0.43
▸ HTR7 P34969 1/20 0.42
▸ ACHE P22303 1/20 0.42

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
SCHEMBL17845040 0.82 HRH4 (0.53) DRD2DRD4HRH4DRD3SORD
SCHEMBL17861451 0.82 DRD2 (0.60) DRD2DRD4HRH4DRD3
SCHEMBL1532949 0.80 DRD2 (0.50) DRD2DRD4HRH4DRD3ACHE
SCHEMBL13139591 0.77 HRH3 (0.51) DRD4
SCHEMBL1255986 0.76 ACHE (0.59) HRH4SORDACHE
SCHEMBL9224900 0.75 HRH4 (0.63) DRD2DRD4HRH4DRD3SORD
SCHEMBL2587527 0.74 HRH3 (0.36) DRD2DRD4DRD3
SCHEMBL17847528 0.74 DRD2 (0.55) DRD2DRD4HRH4DRD3SORD
SCHEMBL8134047 0.73 HRH4 (0.64) DRD2DRD4HRH4DRD3SORD
SCHEMBL17847547 0.73 DRD2 (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10369130-B2 Antibacterial compounds AZIEN DE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2019-08-06 — — US disclosed
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 — — US disclosed
WO-2016096631-A1 NEW ANTIBACTERIAL COMPOUNDS 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-10369130-B2 Antibacterial compounds MRPL21, CLPP, NRDC DRD2 3384/4885DRD4 1835/4885HRH4 3610/4885
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC DRD2 3384/4885DRD4 1835/4885HRH4 3610/4885

“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.

Send feedback