SCHEMBL2239984

SCHEMBL2239984

CN(Cc1ccc(CN2CCC(N(C)C)C2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
LTA4H P09960 3/20 0.43
BCHE P06276 3/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
JAK2 O60674 2/20 0.42
GPR119 Q8TDV5 1/20 0.42
OPRM1 P35372 1/20 0.41
GRM2 Q14416 1/20 0.40
HSD11B1 P28845 1/20 0.40
JAK1 P23458 1/20 0.40
KCNH2 Q12809 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
ACHE P22303 3/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL2236466 0.87 BCHE (0.44) LTA4HBCHEPKMHTTSMN1; SMN2
SCHEMBL2234967 0.85 BCHE (0.47) LTA4HBCHEPKMHTTSMN1; SMN2
SCHEMBL2238595 0.85 ALDH1A1 (0.47) BCHEPKMHTTSMN1; SMN2OPRM1
SCHEMBL1936097 0.84 HTT (0.51) LTA4HBCHEPKMHTTSMN1; SMN2
SCHEMBL2240023 0.84 HTT (0.54) HDAC1LTA4HBCHEPKMHTT
SCHEMBL2237327 0.83 ALDH1A1 (0.51) LTA4HBCHEPKMHTTSMN1; SMN2
SCHEMBL2237880 0.83 HTR2C (0.43) BCHEPKMHTTSMN1; SMN2JAK2
SCHEMBL2240256 0.83 OPRM1 (0.43) LTA4HBCHEPKMHTTSMN1; SMN2
SCHEMBL2239917 0.83 LTA4H (0.48) LTA4H
SCHEMBL2237555 0.82 BCHE (0.54) LTA4HBCHEPKMHTTSMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
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 (2 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 HDAC1 2624/4885LTA4H 277/4885BCHE 967/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 HDAC1 2556/4885LTA4H 248/4885BCHE 765/4885

“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.