SCHEMBL2238588

SCHEMBL2238588

CC(C)(C)C(Cc1ccc(CN2CCC(O)CC2)cc1)NC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2D6 P10635 1/20 0.44
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
POLB P06746 2/20 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
SCHEMBL2236465 0.93 ALDH1A1 (0.44) ALDH1A1
SCHEMBL1935382 0.88 S1PR1 (0.42) ALDH1A1
SCHEMBL2240254 0.87 KDM4E (0.45) CYP2D6KDM4E
SCHEMBL2237326 0.86 ALDH1A1 (0.54) ALDH1A1
SCHEMBL2237876 0.85 FUCA1 (0.42) ALDH1A1KDM4E
SCHEMBL2234962 0.83 LTA4H (0.42) CYP2D6KDM4E
SCHEMBL2239983 0.83 HDAC1 (0.47) KDM4E
SCHEMBL2239911 0.82 LTA4H (0.49)
SCHEMBL1936094 0.81 SCN4A (0.43) ALDH1A1KDM4E
SCHEMBL2237424 0.80 S1PR5 (0.40) CYP2D6KDM4E

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 ALDH1A1 3363/4885RAB9A 2507/4885MEN1 349/4885

“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.