SCHEMBL2239983

SCHEMBL2239983

CN(C)C1CCN(Cc2ccc(CC(NC(=O)O)C(C)(C)C)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
JAK2 O60674 1/20 0.43
LTA4H P09960 3/20 0.42
CHRM4 P08173 2/20 0.42
KCNH2 Q12809 2/20 0.41
TNIK Q9UKE5 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GRM2 Q14416 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
SCN4A P35499 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38

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 0.85 ALDH1A1 (0.44) LTA4HSCN4A
SCHEMBL1936094 0.85 SCN4A (0.43) LTA4HKDM4ESCN4A
SCHEMBL2238588 0.83 ALDH1A1 (0.44) KDM4E
SCHEMBL2234962 0.83 LTA4H (0.42) LTA4HKDM4EGRM2SCN4ACHRM2
SCHEMBL2239911 0.82 LTA4H (0.49) LTA4HCHRM2CHRM3
SCHEMBL2237326 0.81 ALDH1A1 (0.54) JAK2LTA4H
SCHEMBL1935382 0.80 S1PR1 (0.42)
SCHEMBL2237876 0.80 FUCA1 (0.42) KDM4E
SCHEMBL2240254 0.80 KDM4E (0.45) LTA4HKDM4E
SCHEMBL2237552 0.79 BCHE (0.46) LTA4HKDM4E

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 HDAC1 2556/4885JAK2 1551/4885LTA4H 248/4885

“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.