SCHEMBL2238150

SCHEMBL2238150

CC(C)(C)N(CCc1ccc(CN2CCCC2)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.50
MBTD1 Q05BQ5 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH3 Q9Y5N1 12/20 0.46
OPRM1 P35372 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL2238599 0.87 OPRM1 (0.51) OPRM1ALDH1A1KDM4E
SCHEMBL2239373 0.86 HRH3 (0.54) HRH3ALDH1A1KDM4E
SCHEMBL2237331 0.85 ALDH1A1 (0.55) MCHR1OPRM1ALDH1A1KDM4E
SCHEMBL2236062 0.84 HRH3 (0.48) L3MBTL1HRH3OPRM1ALDH1A1KDM4E
SCHEMBL2240263 0.84 OPRM1 (0.48) L3MBTL1OPRM1ALDH1A1KDM4E
SCHEMBL1935385 0.84 S1PR1 (0.45) L3MBTL1OPRM1ALDH1A1KDM4E
SCHEMBL2237887 0.84 S1PR1 (0.45) L3MBTL1OPRM1KDM4E
SCHEMBL2237558 0.84 BCHE (0.49) L3MBTL1OPRM1ALDH1A1KDM4E
SCHEMBL2314469 0.82 OPRM1 (0.46) HRH3OPRM1KDM4E
SCHEMBL2236473 0.82 OPRM1 (0.46) MCHR1OPRM1ALDH1A1KDM4E

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-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 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-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 MCHR1 366/4885MBTD1 2568/4885L3MBTL3 3456/4885

“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.