SCHEMBL2237426

SCHEMBL2237426

COC1CN(Cc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
BCHE P06276 2/20 0.43
LTA4H P09960 2/20 0.39
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MLNR O43193 1/20 0.36
CYP3A4 P08684 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35

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 0.91 BCHE (0.47) HTR2CSLC6A4BCHELTA4HHTT
SCHEMBL2237555 0.90 BCHE (0.54) HTR2CSLC6A4BCHELTA4HHTT
SCHEMBL2237880 0.89 HTR2C (0.43) HTR2CSLC6A4BCHEHTTSMN1; SMN2
SCHEMBL2240256 0.88 OPRM1 (0.43) HTR2CSLC6A4BCHELTA4HHTT
SCHEMBL1935383 0.88 HTR2C (0.43) HTR2CSLC6A4BCHEHTTSMN1; SMN2
SCHEMBL2238137 0.84 BCHE (0.51) BCHELTA4HKCNH2MCHR1HTT
SCHEMBL2236466 0.81 BCHE (0.44) HTR2CSLC6A4BCHELTA4HMCHR1
SCHEMBL2238595 0.81 ALDH1A1 (0.47) HTR2CSLC6A4BCHEHTTSMN1; SMN2
SCHEMBL2239984 0.80 HDAC1 (0.44) HTR2CSLC6A4BCHELTA4HKCNH2
SCHEMBL2237327 0.79 ALDH1A1 (0.51) BCHELTA4HHTTSMN1; SMN2PKM

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 8 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
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO 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.