SCHEMBL15680271

SCHEMBL15680271

COc1ccc(COc2cc3c(cc2OCc2ccc(OC)cc2)C(=O)N(CCN2CCCC2)C3)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.48
MCHR1 Q99705 1/20 0.48
HRH3 Q9Y5N1 2/20 0.45
LTA4H P09960 1/20 0.44
HTR4 Q13639 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL15680232 0.83 RAD52 (0.53) KCNH2MCHR1HRH3LTA4H
SCHEMBL15680617 0.81 CNR2 (0.48) KCNH2MCHR1HRH3LTA4HSIGMAR1
SCHEMBL15680267 0.78 KCNH2 (0.54) KCNH2MCHR1HRH3LTA4HACHE
SCHEMBL14842971 0.78 DRD2 (0.44) KCNH2MCHR1HRH3LTA4HDRD2
SCHEMBL17191999 0.78 HRH3 (0.49) KCNH2MCHR1HRH3LTA4H
SCHEMBL15680279 0.77 CACNA1G (0.51) KCNH2MCHR1HRH3LTA4HSIGMAR1
SCHEMBL15680312 0.76 KCNH2 (0.43) KCNH2MCHR1HRH3LTA4HSIGMAR1
SCHEMBL18467722 0.75 DRD2 (0.44) KCNH2MCHR1HRH3LTA4HSIGMAR1
SCHEMBL14854353 0.74 MCHR1 (0.46) KCNH2MCHR1HRH3LTA4HSIGMAR1
SCHEMBL15680542 0.74 KCNH2 (0.49) KCNH2MCHR1HRH3LTA4HSIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 US disclosed
WO-2014068388-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-05-08 WO 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 (2 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL KCNH2 2246/4885MCHR1 4370/4885HRH3 3855/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 KCNH2 178/4885MCHR1 2741/4885HRH3 787/4885

“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.