SCHEMBL12047239

SCHEMBL12047239

COc1cc(C)c(SN(C)CCOCC(=O)N(C)CC2CCN(c3ccncc3)C2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
F10 P00742 6/20 0.35

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
SCHEMBL12012120 0.95 BDKRB1 (0.39) BDKRB1F10
SCHEMBL13063111 0.94 BDKRB1 (0.38) BDKRB1
SCHEMBL13063132 0.88 F10 (0.36) F10
SCHEMBL13063102 0.87 BDKRB1 (0.38) BDKRB1F10
SCHEMBL3440165 0.85 BDKRB1 (0.56) BDKRB1
SCHEMBL13876908 0.81 BDKRB1 (0.46) BDKRB1
SCHEMBL3439848 0.80 BDKRB1 (0.40) BDKRB1F10
SCHEMBL3440246 0.80 BDKRB1 (0.57) BDKRB1
SCHEMBL10118663 0.79 BDKRB1 (0.37) BDKRB1ALDH1A1F10
SCHEMBL13063150 0.79 BDKRB1 (0.49) BDKRB1

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-20110294775-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 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-20110294775-A1 NOVEL COMPOUNDS TRPV1, OPRL1, TRPA1 BDKRB1 80/4885ALDH1A1 2740/4885MAPT 2138/4885

“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.