SCHEMBL622214

SCHEMBL622214

N#Cc1ccc2ncc(OCCN3CCC(NC(=O)c4cc5c(cc4Cl)SCC(=O)N5)CC3)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.37
DRD2 P14416 6/20 0.36
DRD3 P35462 6/20 0.36
PDPK1 O15530 1/20 0.36
PRKAA2 P54646 4/20 0.36
EGLN1 Q9GZT9 2/20 0.35
KCNH2 Q12809 2/20 0.35
PTK2 Q05397 1/20 0.34
HRH1 P35367 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL620130 0.88 HPGDS (0.39) HTR7KCNH2
SCHEMBL619997 0.86 KCNH2 (0.39) HTR7KCNH2PTK2
SCHEMBL620931 0.84 KCNH2 (0.44) HTR7DRD2KCNH2PTK2
SCHEMBL622311 0.79 GSK3B (0.42) HTR7
SCHEMBL619993 0.79 HPGD (0.45) HTR7KCNH2
SCHEMBL620405 0.77 HPGD (0.47) KCNH2
SCHEMBL622110 0.77 MCHR1 (0.38) HTR7DRD2KCNH2
SCHEMBL622668 0.77 HPGD (0.44) HTR7KCNH2
SCHEMBL619652 0.77 HPGD (0.44) HTR7KCNH2HRH1
SCHEMBL622667 0.77 HPGD (0.44) HTR7DRD2

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 HTR7 3743/4885DRD2 736/4885DRD3 129/4885

“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.