SCHEMBL2237880

SCHEMBL2237880

CN(Cc1ccc(CN2CC(O)C(O)C2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.43
SLC6A4 P31645 3/20 0.43
BCHE P06276 2/20 0.40
FUCA1 P04066 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GBA1 P04062 2/20 0.39
S1PR1 P21453 2/20 0.37
S1PR5 Q9H228 2/20 0.37
MLNR O43193 2/20 0.37
CYP3A4 P08684 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
LMNA P02545 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL1935383 0.94 HTR2C (0.43) HTR2CSLC6A4BCHEFUCA1PKM
SCHEMBL2237426 0.89 HTR2C (0.43) HTR2CSLC6A4BCHEPKMHTT
SCHEMBL2236466 0.87 BCHE (0.44) HTR2CSLC6A4BCHEPKMHTT
SCHEMBL2238595 0.86 ALDH1A1 (0.47) HTR2CSLC6A4BCHEPKMHTT
SCHEMBL2237327 0.85 ALDH1A1 (0.51) BCHEPKMHTTSMN1; SMN2LMNA
SCHEMBL2239559 0.83 HTT (0.50) BCHEFUCA1PKMHTTSMN1; SMN2
SCHEMBL2239984 0.83 HDAC1 (0.44) HTR2CSLC6A4BCHEPKMHTT
SCHEMBL2234967 0.82 BCHE (0.47) HTR2CSLC6A4BCHEPKMHTT
SCHEMBL2240256 0.82 OPRM1 (0.43) HTR2CSLC6A4BCHEPKMHTT
SCHEMBL1936097 0.81 HTT (0.51) BCHEPKMHTTSMN1; SMN2S1PR1

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 HTR2C 1697/4885SLC6A4 3386/4885BCHE 967/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 HTR2C 1643/4885SLC6A4 3122/4885BCHE 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.