SCHEMBL3775157

SCHEMBL3775157

COc1cnc2cccc(C(O)CN3CCC(NC(C4=CC=CCC4)C4=COC=CO4)CC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.41
SLC2A1 P11166 9/20 0.40
CCR3 P51677 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32

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
SCHEMBL5255791 0.90 KCNH2 (0.52) KCNH2SLC2A1
SCHEMBL3784362 0.90 KCNH2 (0.35) KCNH2SLC2A1
SCHEMBL3784584 0.90 KCNH2 (0.35) KCNH2SLC2A1
SCHEMBL5317187 0.90 KCNH2 (0.32) KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL5650870 0.86 KCNH2 (0.49) KCNH2SLC2A1
SCHEMBL5942923 0.86 SLC2A1 (0.33) KCNH2SLC2A1
SCHEMBL5943183 0.86 SLC2A1 (0.33) KCNH2SLC2A1
SCHEMBL3775467 0.86 KCNH2 (0.33) KCNH2SLC2A1
SCHEMBL5254100 0.83 KCNH2 (0.36) KCNH2SLC2A1
SCHEMBL3686883 0.80 KCNH2 (0.34) KCNH2SLC2A1

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 1 patent. 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

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 KCNH2 3216/4885SLC2A1 4605/4885CCR3 4714/4885

“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.