SCHEMBL13063366

SCHEMBL13063366

COc1cc(C)c(SN(C)CCOCC(=O)N(C)Cc2ccc(N3CCC(N(C)C)CC3)cc2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.43
MCHR1 Q99705 1/20 0.37
HTR2A P28223 1/20 0.35
RORC P51449 1/20 0.35
FGFR2 P21802 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
SCHEMBL3439798 0.85 BDKRB1 (0.62) BDKRB1
SCHEMBL12012120 0.80 BDKRB1 (0.39) BDKRB1
SCHEMBL12010197 0.80 BDKRB1 (0.60) BDKRB1
SCHEMBL12010173 0.80 BDKRB1 (0.60) BDKRB1
SCHEMBL12047260 0.80 BDKRB1 (0.46) BDKRB1
SCHEMBL10118698 0.79 BDKRB1 (0.46) BDKRB1
SCHEMBL12047239 0.77 BDKRB1 (0.38) BDKRB1
SCHEMBL12012116 0.77 BDKRB1 (0.44) BDKRB1
SCHEMBL13063102 0.77 BDKRB1 (0.38) BDKRB1
SCHEMBL13063417 0.77 MCHR1 (0.34) BDKRB1MCHR1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 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-20090137545-A1 Compounds ADORA2B, ABCB11, CYP11B1 BDKRB1 6/4885MCHR1 587/4885HTR2A 1827/4885

“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.