SCHEMBL2093769

SCHEMBL2093769

c1ccc(CN2CCC(NC3CC[N]C3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.56
BACE1 P56817 7/20 0.56
BCHE P06276 5/20 0.56
CXCR3 P49682 2/20 0.56
SIGMAR1 Q99720 3/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
CCR3 P51677 1/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48

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
SCHEMBL3122690 0.93 ACHE (0.60) ACHEBACE1BCHECXCR3SIGMAR1
SCHEMBL2840739 0.85 ACHE (0.70) ACHEBACE1BCHECXCR3SIGMAR1
SCHEMBL8408423 0.82 ACHE (0.66) ACHEBACE1BCHECXCR3SIGMAR1
SCHEMBL7424698 0.80 ACHE (0.64) ACHEBACE1BCHECXCR3SIGMAR1
SCHEMBL8805002 0.80 ACHE (0.64) ACHEBACE1BCHECXCR3SIGMAR1
SCHEMBL3316924 0.79 MC4R (0.64) ACHEBACE1BCHECXCR3SIGMAR1
SCHEMBL34474661 0.77 BCHE (0.69) ACHEBACE1BCHECXCR3SIGMAR1
SCHEMBL12218291 0.75 ACHE (0.57) ACHEBACE1BCHECXCR3SIGMAR1
SCHEMBL25104895 0.74 BCHE (0.64) ACHEBACE1BCHECXCR3GAA
SCHEMBL360075 0.73 ACHE (0.68) ACHEBACE1BCHECXCR3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP claimed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO claimed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US claimed
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP disclosed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US 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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 ACHE 1312/4885BACE1 613/4885BCHE 1053/4885

“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.