SCHEMBL2237327

SCHEMBL2237327

CN(Cc1ccc(CN2CCCC(O)C2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
BCHE P06276 2/20 0.50
HTT P42858 4/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ACHE P22303 1/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LTA4H P09960 1/20 0.41
GAA P10253 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
SCHEMBL2236466 0.93 BCHE (0.44) ALDH1A1BCHEHTTPKMSMN1; SMN2
SCHEMBL1935383 0.88 HTR2C (0.43) BCHEHTTPKMSMN1; SMN2ACHE
SCHEMBL2237555 0.88 BCHE (0.54) ALDH1A1BCHEHTTPKMSMN1; SMN2
SCHEMBL2238595 0.86 ALDH1A1 (0.47) ALDH1A1BCHEHTTPKMSMN1; SMN2
SCHEMBL2239851 0.86 ALDH1A1 (0.65) ALDH1A1BCHEHTTPKMSMN1; SMN2
SCHEMBL2237880 0.85 HTR2C (0.43) BCHEHTTPKMSMN1; SMN2ACHE
SCHEMBL2239984 0.83 HDAC1 (0.44) BCHEHTTPKMSMN1; SMN2ACHE
SCHEMBL2234967 0.82 BCHE (0.47) ALDH1A1BCHEHTTPKMSMN1; SMN2
SCHEMBL1936097 0.81 HTT (0.51) ALDH1A1BCHEHTTPKMSMN1; SMN2
SCHEMBL2239917 0.80 LTA4H (0.48) LTA4H

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 ALDH1A1 3283/4885BCHE 967/4885HTT 2939/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 ALDH1A1 3363/4885BCHE 765/4885HTT 3144/4885

“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.