SCHEMBL622110

SCHEMBL622110

COc1ccc2nc(C)c(OCCN3CCC(NC(=O)c4cc5c(cc4Cl)SCC(=O)N5)CC3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.38
SLC2A1 P11166 1/20 0.37
DRD4 P21917 2/20 0.37
HTR7 P34969 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR6 P50406 1/20 0.36
KCNH2 Q12809 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
SCHEMBL620130 0.88 HPGDS (0.39) MCHR1SLC2A1HTR7KCNH2
SCHEMBL619997 0.86 KCNH2 (0.39) HTR7KCNH2
SCHEMBL620931 0.84 KCNH2 (0.44) HTR7HTR1ADRD2HTR6KCNH2
SCHEMBL621354 0.83 MCHR1 (0.40) MCHR1SLC2A1HTR7KCNH2
SCHEMBL619473 0.82 MCHR1 (0.40) MCHR1SLC2A1HTR7KDM4EALDH1A1
SCHEMBL622311 0.79 GSK3B (0.42) HTR7
SCHEMBL620405 0.77 HPGD (0.47) MCHR1DRD4ALDH1A1HPGDKCNH2
SCHEMBL622214 0.77 HTR7 (0.37) HTR7DRD2KCNH2
SCHEMBL619404 0.74 HPGD (0.47) MCHR1DRD4ALDH1A1HPGDKCNH2
SCHEMBL622377 0.73 HPGDS (0.40) HTR7KCNH2

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 MCHR1 533/4885SLC2A1 3075/4885DRD4 295/4885

“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.