SCHEMBL17845040

SCHEMBL17845040

CC(C)(C)N(CCCN1CCN(c2nccc3ccccc23)CC1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.53
▸ DRD2 P14416 3/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ SORD Q00796 2/20 0.46
▸ DRD3 P35462 2/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.45
▸ HTR2C P28335 2/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ HTR1A P08908 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ SLC6A4 P31645 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
SCHEMBL17865228 0.82 DRD2 (0.51) HRH4DRD2DRD4SORDDRD3
SCHEMBL17847547 0.78 DRD2 (0.62) HRH4DRD2DRD4DRD3HCAR2
SCHEMBL9224900 0.78 HRH4 (0.63) HRH4DRD2DRD4SORDDRD3
SCHEMBL17861451 0.77 DRD2 (0.60) HRH4DRD2DRD4DRD3
SCHEMBL8134047 0.76 HRH4 (0.64) HRH4DRD2DRD4SORDDRD3
SCHEMBL17844983 0.76 HRH4 (0.63) HRH4DRD2DRD4SORDDRD3
SCHEMBL6714160 0.76 HRH4 (0.67) HRH4DRD2DRD4SORDHTR2C
SCHEMBL1532949 0.75 DRD2 (0.50) HRH4DRD2DRD4DRD3HTR2A
SCHEMBL17847549 0.75 HRH4 (0.63) HRH4DRD2DRD4SORDDRD3
Hydrochloric Acid SCHEMBL17847622 0.75 DRD2 (0.71) DRD2DRD4DRD3HTR2CHTR2A

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 3875/4885DRD2 2706/4885DRD4 1626/4885
US-10221144-B2 Antibacterial compounds having broad spectrum of activity MRPL21, ABCG2, CLPP HRH4 3875/4885DRD2 2706/4885DRD4 1626/4885

“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