SCHEMBL6089057

SCHEMBL6089057

Oc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2D6 P10635 1/20 0.78
CYP2C19 P33261 1/20 0.78
DRD2 P14416 1/20 0.74
HTR2A P28223 11/20 0.73
HTR2C P28335 10/20 0.73
PRMT5 O14744 2/20 0.63
EGFR P00533 2/20 0.63
MAPKAPK2 P49137 1/20 0.57

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
SCHEMBL274149 0.88 HTR7 (1.00) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL30274365 0.86 HTR7 (0.78) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL3713285 0.86 HTR7 (0.78) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL6088731 0.86 HTR7 (0.78) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL23875880 0.86 HTR7 (0.78) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL23875899 0.86 HTR7 (0.78) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL30274410 0.86 HTR7 (0.83) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL3709723 0.86 HTR7 (0.78) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL6786360 0.86 HTR7 (0.78) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL3568230 0.85 HTR7 (1.00) HTR7CYP3A4CYP2D6CYP2C19DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6987115-B2 Antibacterial compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-01-17 US disclosed
EP-1347759-B1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-06-29 EP disclosed
EP-1347759-A4 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-04-21 EP disclosed
US-20040053954-A1 Antibacterial compounds SMITHKLINE BEECHAM CORPORATION 2004-03-18 US disclosed
EP-1347759-A1 ANTIBACTERIAL COMPOUNDS SmithKline Beecham Corporation (US) 2003-10-01 EP disclosed
WO-2002062339-A1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-08-15 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-20040053954-A1 Antibacterial compounds RER1, REL, RRS1 HTR7 1866/4885CYP3A4 1994/4885CYP2D6 848/4885

“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.