SCHEMBL3772117

SCHEMBL3772117

COc1cnc2cccc(C(O)CN3CCC(NCCCc4ccccc4)CC3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.54
KCNH2 Q12809 1/20 0.50
GRIN2B Q13224 5/20 0.44
GRIN1 Q05586 2/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CCR3 P51677 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
MCHR1 Q99705 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
DRD4 P21917 1/20 0.40

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
SCHEMBL5727471 0.88 SLC2A1 (0.69) SLC2A1KCNH2GRIN2BGRIN1
SCHEMBL3774752 0.88 KCNH2 (0.49) SLC2A1KCNH2CCR3SIGMAR1MTNR1A
SCHEMBL3770941 0.83 KCNH2 (0.60) SLC2A1KCNH2CCR3MCHR1DRD4
SCHEMBL3769339 0.83 KCNH2 (0.48) SLC2A1KCNH2CCR3SIGMAR1MCHR1
SCHEMBL3769333 0.83 KCNH2 (0.48) SLC2A1KCNH2CCR3SIGMAR1MCHR1
SCHEMBL3781666 0.82 SLC2A1 (0.53) SLC2A1KCNH2MTNR1AMTNR1B
SCHEMBL3779200 0.80 SLC2A1 (0.47) SLC2A1KCNH2CCR3MTNR1AMTNR1B
SCHEMBL3780360 0.80 KCNH2 (0.48) SLC2A1KCNH2CCR3SIGMAR1MTNR1A
SCHEMBL3771627 0.80 KCNH2 (0.59) SLC2A1KCNH2MCHR1
SCHEMBL3780351 0.80 KCNH2 (0.48) SLC2A1KCNH2CCR3SIGMAR1MTNR1A

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
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
EP-1943222-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2008-07-16 EP disclosed
WO-2007042325-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2007-04-19 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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B SLC2A1 4605/4885KCNH2 3216/4885GRIN2B 4113/4885

“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.