SCHEMBL619997

SCHEMBL619997

COc1cnc2ccc(OCCN3CCC(NC(=O)c4cc5c(cc4Cl)SCC(=O)N5)CC3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.39
HTR7 P34969 1/20 0.39
IGF1R P08069 1/20 0.37
CNR2 P34972 1/20 0.37
PTK2 Q05397 2/20 0.37
HTR4 Q13639 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL620931 0.94 KCNH2 (0.44) KCNH2HTR7IGF1RPTK2
SCHEMBL620130 0.94 HPGDS (0.39) KCNH2HTR7
SCHEMBL619404 0.89 HPGD (0.47) KCNH2POLB
SCHEMBL622214 0.86 HTR7 (0.37) KCNH2HTR7PTK2
SCHEMBL622110 0.86 MCHR1 (0.38) KCNH2HTR7
SCHEMBL622311 0.85 GSK3B (0.42) HTR7HTR4
SCHEMBL621354 0.85 MCHR1 (0.40) KCNH2HTR7
SCHEMBL620405 0.83 HPGD (0.47) KCNH2
SCHEMBL619473 0.83 MCHR1 (0.40) KCNH2HTR7POLB
SCHEMBL622377 0.79 HPGDS (0.40) KCNH2HTR7

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 KCNH2 488/4885HTR7 3743/4885IGF1R 2067/4885

“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.