SCHEMBL2240256

SCHEMBL2240256

COC1CCN(Cc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.43
OPRK1 P41145 1/20 0.43
ACHE P22303 3/20 0.42
BCHE P06276 2/20 0.42
KDM4E B2RXH2 2/20 0.41
LTA4H P09960 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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 0.93 BCHE (0.47) OPRM1OPRK1ACHEBCHEKDM4E
SCHEMBL2238595 0.88 ALDH1A1 (0.47) OPRM1ACHEBCHEKDM4EHRH3
SCHEMBL2237426 0.88 HTR2C (0.43) ACHEBCHEKDM4ELTA4HHTR2C
SCHEMBL2237555 0.88 BCHE (0.54) ACHEBCHEKDM4ELTA4HHTR2C
SCHEMBL2235515 0.85 KDM4E (0.50) OPRM1OPRK1ACHEBCHEKDM4E
SCHEMBL2236466 0.84 BCHE (0.44) ACHEBCHEKDM4ELTA4HHTR2C
SCHEMBL2239984 0.83 HDAC1 (0.44) OPRM1ACHEBCHELTA4HHTR2C
SCHEMBL2237880 0.82 HTR2C (0.43) ACHEBCHEHTR2CSLC6A4PKM
SCHEMBL1936097 0.81 HTT (0.51) BCHEKDM4ELTA4HALDH1A1PKM
SCHEMBL1935383 0.81 HTR2C (0.43) ACHEBCHEHTR2CSLC6A4PKM

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 OPRM1 503/4885OPRK1 198/4885ACHE 1217/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 OPRM1 442/4885OPRK1 162/4885ACHE 967/4885

“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.