SCHEMBL2238595

SCHEMBL2238595

CN(Cc1ccc(CN2CCC(O)CC2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2D6 P10635 1/20 0.47
KMT2A Q03164 1/20 0.47
ACHE P22303 4/20 0.44
BCHE P06276 2/20 0.44
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRM1 P35372 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2236466 0.93 BCHE (0.44) ALDH1A1RAB9AMEN1CYP2D6KMT2A
SCHEMBL2240256 0.88 OPRM1 (0.43) ALDH1A1ACHEBCHEKDM4EHRH3
SCHEMBL1935383 0.88 HTR2C (0.43) ACHEBCHEHTR2CSLC6A4PKM
SCHEMBL2237327 0.86 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AACHEBCHE
SCHEMBL2237880 0.86 HTR2C (0.43) ACHEBCHEHTR2CSLC6A4PKM
SCHEMBL2239984 0.85 HDAC1 (0.44) ACHEBCHEHTR2CSLC6A4OPRM1
SCHEMBL2234967 0.84 BCHE (0.47) ALDH1A1MEN1KMT2AACHEBCHE
SCHEMBL2238826 0.83 ALDH1A1 (0.53) ALDH1A1RAB9AMEN1CYP2D6KMT2A
SCHEMBL1936097 0.83 HTT (0.51) ALDH1A1MEN1KMT2ABCHEKDM4E
SCHEMBL2239917 0.81 LTA4H (0.48) CYP2D6HRH3

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 ALDH1A1 3283/4885RAB9A 2719/4885MEN1 231/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 ALDH1A1 3363/4885RAB9A 2507/4885MEN1 349/4885

“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.