SCHEMBL2237555

SCHEMBL2237555

COC1CCCN(Cc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.54
HTT P42858 3/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACHE P22303 1/20 0.47
LMNA P02545 1/20 0.46
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAOB P27338 2/20 0.43
LTA4H P09960 1/20 0.41
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
ROCK2 O75116 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
SCHEMBL2234967 0.94 BCHE (0.47) BCHEHTTPKMSMN1; SMN2ACHE
SCHEMBL2237426 0.90 HTR2C (0.43) BCHEHTTPKMSMN1; SMN2ACHE
SCHEMBL2237327 0.88 ALDH1A1 (0.51) BCHEHTTPKMSMN1; SMN2ACHE
SCHEMBL2240256 0.88 OPRM1 (0.43) BCHEHTTPKMSMN1; SMN2ACHE
SCHEMBL2237791 0.87 BCHE (0.62) BCHEHTTPKMSMN1; SMN2ACHE
SCHEMBL2236466 0.83 BCHE (0.44) BCHEHTTPKMSMN1; SMN2ACHE
SCHEMBL2239252 0.83 BCHE (0.56) BCHEHTTPKMSMN1; SMN2ACHE
SCHEMBL2239984 0.82 HDAC1 (0.44) BCHEHTTPKMSMN1; SMN2ACHE
SCHEMBL2237880 0.81 HTR2C (0.43) BCHEHTTPKMSMN1; SMN2ACHE
SCHEMBL2238595 0.81 ALDH1A1 (0.47) BCHEHTTPKMSMN1; SMN2ACHE

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 BCHE 967/4885HTT 2939/4885PKM 1146/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BCHE 765/4885HTT 3144/4885PKM 1318/4885

“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.