SCHEMBL2239252

SCHEMBL2239252

COC1CCN(Cc2ccc(CN(C)C(=O)O)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.56
HTT P42858 2/20 0.52
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.49
LTA4H P09960 2/20 0.47
ACHE P22303 1/20 0.47
KDM4E B2RXH2 5/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAOB P27338 1/20 0.46
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
GRM2 Q14416 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2237791 0.95 BCHE (0.62) BCHEHTTPKMSMN1; SMN2LMNA
SCHEMBL2235515 0.92 KDM4E (0.50) BCHEHTTPKMSMN1; SMN2LMNA
SCHEMBL2238137 0.89 BCHE (0.51) BCHEHTTPKMSMN1; SMN2LMNA
SCHEMBL2234967 0.86 BCHE (0.47) BCHEHTTPKMSMN1; SMN2LMNA
SCHEMBL2238909 0.83 ALDH1A1 (0.55) BCHEHTTPKMSMN1; SMN2LMNA
SCHEMBL2237555 0.83 BCHE (0.54) BCHEHTTPKMSMN1; SMN2LMNA
SCHEMBL2240023 0.82 HTT (0.54) BCHEHTTPKMSMN1; SMN2LMNA
SCHEMBL24072834 0.80 HRH3 (0.54) LTA4HKDM4EMEN1KMT2AMAOB
SCHEMBL31003108 0.80 HRH3 (0.54) LTA4HKDM4EMEN1KMT2AMAOB
SCHEMBL2238826 0.80 ALDH1A1 (0.53) 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 3 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-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

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.