SCHEMBL1845384

SCHEMBL1845384

CC(C)(C)N(CCc1ccc(N)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ESRRG P62508 1/20 0.42
GFER P55789 1/20 0.42
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
EPHX2 P34913 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MAPT P10636 1/20 0.38
RCE1 Q9Y256 1/20 0.37
BLM P54132 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL21997106 0.90 KMT2A (0.46) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL17094941 0.85 POLB (0.54) MEN1KMT2AESRRGLMNAEPHX2
SCHEMBL1935310 0.85 MEN1 (0.47) MEN1KMT2AHTTL3MBTL1ESRRG
SCHEMBL4147783 0.85 ESRRG (0.49) MEN1KMT2AHTTL3MBTL1ESRRG
SCHEMBL1027884 0.85 MEN1 (0.47) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL2881402 0.85 PPARA (0.49) MEN1KMT2AHTTL3MBTL1ESRRG
SCHEMBL21247482 0.84 KMT2A (0.63) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL335254 0.84 MEN1 (0.50) MEN1KMT2AHTTL3MBTL1ESRRG
SCHEMBL11898599 0.83 MEN1 (0.46) MEN1KMT2AHTTL3MBTL1ESRRG
SCHEMBL2575721 0.83 TAAR1 (0.50) MEN1KMT2AHTTL3MBTL1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
EP-2325175-A1 2,4-DIAMINOPYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2011-05-25 EP 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-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND PRKCZ, DCLK1, AAK1 MEN1 4795/4885KMT2A 1333/4885HTT 4880/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 MEN1 349/4885KMT2A 2057/4885HTT 3144/4885

“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.