SCHEMBL17865142

SCHEMBL17865142

CC(C)(C)OC(=O)NCCC(=O)N1CCN(c2nccc3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.53
HCAR2 Q8TDS4 1/20 0.48
HRH4 Q9H3N8 1/20 0.47
ACHE P22303 1/20 0.47
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SORD Q00796 1/20 0.43
PHGDH O43175 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
KIT P10721 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL17847521 0.84 HCAR2 (0.56) HCAR2HRH4DRD2DRD4KDM4E
SCHEMBL17861451 0.84 DRD2 (0.60) HRH4DRD2DRD4
SCHEMBL1255986 0.81 ACHE (0.59) HCAR2HRH4ACHESORDPHGDH
SCHEMBL15383665 0.80 KDM4E (0.61) SIGMAR1ACHEKDM4EHTTMEN1
SCHEMBL17865234 0.79 DRD2 (0.46) HRH4DRD2DRD4
SCHEMBL17848089 0.79 HRH4 (0.57) HCAR2HRH4KDM4EHTTHPGD
SCHEMBL17844982 0.77 DRD2 (0.45) HRH4ACHEDRD2DRD4
SCHEMBL766368 0.76 RBP4 (0.63) SIGMAR1DRD2GFER
SCHEMBL19753767 0.76 DRD2 (0.47) HRH4DRD2DRD4
SCHEMBL17844905 0.76 DRD2 (0.46) HRH4DRD2DRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20170368017-A1 ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC SIGMAR1 1256/4885HCAR2 3976/4885HRH4 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.