SCHEMBL2237552

SCHEMBL2237552

COC1CCCN(Cc2ccc(CC(NC(=O)O)C(C)(C)C)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.46
MAOB P27338 3/20 0.46
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LTA4H P09960 1/20 0.40
DRD4 P21917 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
ACHE P22303 2/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2234962 0.94 LTA4H (0.42) BCHEKDM4ELTA4H
SCHEMBL2237424 0.89 S1PR5 (0.40) BCHEMAOBKDM4ELTA4H
SCHEMBL2240254 0.87 KDM4E (0.45) BCHEKDM4ELTA4HSIGMAR1
SCHEMBL2237326 0.86 ALDH1A1 (0.54) ATML3MBTL1ALDH1A1LTA4H
SCHEMBL2236465 0.81 ALDH1A1 (0.44) ALDH1A1LTA4H
SCHEMBL2238588 0.79 ALDH1A1 (0.44) KDM4EALDH1A1KMT2A
SCHEMBL2239983 0.79 HDAC1 (0.47) KDM4ELTA4H
SCHEMBL1935382 0.79 S1PR1 (0.42) ALDH1A1
SCHEMBL2237876 0.79 FUCA1 (0.42) KDM4EALDH1A1
SCHEMBL2239911 0.78 LTA4H (0.49) LTA4HDRD4

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 BCHE 765/4885MAOB 218/4885KDM4E 2968/4885

“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.