SCHEMBL1936097

SCHEMBL1936097

CN(C)C(=O)C1CCN(Cc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
PKM P14618 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.46
KDM4E B2RXH2 7/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
ALDH1A1 P00352 3/20 0.46
LTA4H P09960 2/20 0.42
BCHE P06276 1/20 0.42
S1PR5 Q9H228 3/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
MLNR O43193 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 0.85 BCHE (0.44) HTTPKMSMN1; SMN2LMNAKDM4E
SCHEMBL2241512 0.85 HTT (0.64) HTTPKMSMN1; SMN2LMNAKDM4E
SCHEMBL2239984 0.84 HDAC1 (0.44) HTTPKMSMN1; SMN2LMNALTA4H
SCHEMBL2234967 0.83 BCHE (0.47) HTTPKMSMN1; SMN2LMNAKDM4E
SCHEMBL2238595 0.83 ALDH1A1 (0.47) HTTPKMSMN1; SMN2KDM4EMEN1
SCHEMBL2237327 0.81 ALDH1A1 (0.51) HTTPKMSMN1; SMN2LMNAKDM4E
SCHEMBL2237880 0.81 HTR2C (0.43) HTTPKMSMN1; SMN2LMNABCHE
SCHEMBL2240256 0.81 OPRM1 (0.43) HTTPKMSMN1; SMN2KDM4EALDH1A1
SCHEMBL2239917 0.81 LTA4H (0.48) CD274LTA4H
SCHEMBL2237555 0.80 BCHE (0.54) HTTPKMSMN1; SMN2LMNAKDM4E

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 9 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
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP 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 HTT 2939/4885PKM 1146/4885SMN1; SMN2 4510/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 HTT 3144/4885PKM 1318/4885SMN1; SMN2 4544/4885

“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.