SCHEMBL620130

SCHEMBL620130

COc1ccc2ncc(OCCN3CCC(NC(=O)c4cc5c(cc4Cl)SCC(=O)N5)CC3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.39
MCHR1 Q99705 2/20 0.38
SLC2A1 P11166 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR7 P34969 1/20 0.37

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
SCHEMBL619997 0.94 KCNH2 (0.39) KCNH2HTR7
SCHEMBL620931 0.92 KCNH2 (0.44) KCNH2HTR7
SCHEMBL622311 0.91 GSK3B (0.42) HTR7
SCHEMBL620405 0.89 HPGD (0.47) HPGDSMCHR1KCNH2
SCHEMBL622214 0.88 HTR7 (0.37) KCNH2HTR7
SCHEMBL622110 0.88 MCHR1 (0.38) MCHR1SLC2A1KCNH2HTR7
SCHEMBL621354 0.88 MCHR1 (0.40) HPGDSMCHR1SLC2A1KCNH2HTR7
SCHEMBL619473 0.86 MCHR1 (0.40) HPGDSMCHR1SLC2A1KCNH2HTR7
SCHEMBL622377 0.85 HPGDS (0.40) HPGDSKCNH2HTR7
SCHEMBL619404 0.83 HPGD (0.47) HPGDSMCHR1KCNH2

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-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 HPGDS 3655/4885MCHR1 533/4885SLC2A1 3075/4885

“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.