SCHEMBL2238909

SCHEMBL2238909

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HTT P42858 3/20 0.55
PKM P14618 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
BCHE P06276 2/20 0.50
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.47
ACHE P22303 2/20 0.45
OPRM1 P35372 2/20 0.45
LTA4H P09960 4/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
S1PR5 Q9H228 1/20 0.44

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
SCHEMBL2239851 0.93 ALDH1A1 (0.65) ALDH1A1HTTPKMSMN1; SMN2BCHE
SCHEMBL2238826 0.92 ALDH1A1 (0.53) ALDH1A1HTTPKMSMN1; SMN2BCHE
SCHEMBL2238913 0.88 HTT (0.50) ALDH1A1HTTPKMSMN1; SMN2BCHE
SCHEMBL2240023 0.85 HTT (0.54) ALDH1A1HTTPKMSMN1; SMN2BCHE
SCHEMBL2236466 0.84 BCHE (0.44) ALDH1A1HTTPKMSMN1; SMN2BCHE
SCHEMBL2239252 0.83 BCHE (0.56) ALDH1A1HTTPKMSMN1; SMN2BCHE
SCHEMBL2241512 0.83 HTT (0.64) ALDH1A1HTTPKMSMN1; SMN2BCHE
SCHEMBL2239559 0.82 HTT (0.50) ALDH1A1HTTPKMSMN1; SMN2BCHE
SCHEMBL2241833 0.81 LTA4H (0.54) HTTPKMSMN1; SMN2KMT2ALTA4H
SCHEMBL2237791 0.80 BCHE (0.62) ALDH1A1HTTPKMSMN1; SMN2BCHE

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 ALDH1A1 3283/4885HTT 2939/4885PKM 1146/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 ALDH1A1 3363/4885HTT 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.