SCHEMBL17865144

SCHEMBL17865144

COC(=O)C1CN(c2nccc3ccccc23)CCN1CCCN

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.46
DRD2 P14416 2/20 0.45
DRD4 P21917 1/20 0.45
MALT1 Q9UDY8 1/20 0.43
ACACB O00763 1/20 0.41
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
SORD Q00796 2/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HTR2C P28335 1/20 0.39
PHGDH O43175 1/20 0.39
DRD3 P35462 1/20 0.38
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37

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
SCHEMBL17845012 0.88 HRH4 (0.47) HRH4DRD2DRD4MALT1ACACB
SCHEMBL17844905 0.84 DRD2 (0.46) HRH4DRD2DRD4DRD3
SCHEMBL19753768 0.83 DRD2 (0.49) HRH4DRD2DRD4DRD3
SCHEMBL17865145 0.80
SCHEMBL17861453 0.80 HRH4 (0.49) HRH4DRD2DRD4DPP4DPP7
Hydrochloric Acid SCHEMBL17847529 0.80
SCHEMBL17845011 0.79 DRD2 (0.45) HRH4DRD2DRD4DPP4DPP7
SCHEMBL17861489 0.77 DRD2 (0.44) HRH4DRD2DRD4DRD3
SCHEMBL17865120 0.75 HRH4 (0.46) HRH4DRD2DPP4DPP7SORD
SCHEMBL17844983 0.73 HRH4 (0.63) HRH4DRD2DRD4SORDHTR2C

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 HRH4 3610/4885DRD2 3384/4885DRD4 1835/4885
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC HRH4 3610/4885DRD2 3384/4885DRD4 1835/4885

“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.