SCHEMBL5470865

SCHEMBL5470865

CC(c1ccccc1)N1CCC(CN2C(=O)c3cccc(C(O)C4CCN(C(C)c5ccccc5)C4)c3C2=O)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.41
ADRB1 P08588 4/20 0.41
ADRB3 P13945 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.38
UTS2R Q9UKP6 2/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 3/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37
ACHE P22303 1/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL14432037 0.83 LMNA (0.48) ADRB2ADRB1ADRB3SMN1; SMN2LMNA
SCHEMBL5451922 0.83 LMNA (0.48) ADRB2ADRB1ADRB3SMN1; SMN2LMNA
SCHEMBL14026665 0.68 CYP2D6 (0.55) ADRB1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL10280648 0.68 CYP2D6 (0.55) ADRB1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL4922997 0.67 LMNA (0.55) ADRB1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL5453145 0.67 LMNA (0.55) ADRB1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL7459001 0.67 LMNA (0.55) ADRB1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL7291562 0.67 LMNA (0.55) ADRB1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL28463472 0.67 LMNA (0.55) ADRB1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL879237 0.67 LMNA (0.55) ADRB1SMN1; SMN2LMNAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 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-20070191333-A1 Antibacterial agents MRPL21, RPN2, FBL ADRB2 4022/4885ADRB1 3568/4885ADRB3 3768/4885

“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.