SCHEMBL2234834

SCHEMBL2234834

CC(C)(C)N(Cc1cc(CN2CCCC2)ccc1F)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
HRH3 Q9Y5N1 4/20 0.40
CXCR4 P61073 2/20 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
SCHEMBL2239373 0.83 HRH3 (0.54) ALDH1A1KDM4EMEN1KMT2AHRH3
SCHEMBL2236062 0.82 HRH3 (0.48) ALDH1A1HTTKDM4EMEN1KMT2A
SCHEMBL2235236 0.80 ALDH1A1 (0.42) ALDH1A1HTTKDM4EKMT2ACYP2D6
SCHEMBL2238150 0.76 MCHR1 (0.50) ALDH1A1KDM4EHRH3
SCHEMBL1936180 0.74 ALDH1A1 (0.54) ALDH1A1HTTKDM4EMEN1MAPK1
SCHEMBL28636678 0.74 ALDH1A1 (0.65) ALDH1A1HTTKDM4EHRH3SMN1; SMN2
SCHEMBL2234826 0.74 MAPT (0.49) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL2518702 0.73 RIPK1 (0.40) ALDH1A1HTTKDM4EMEN1KMT2A
SCHEMBL12346828 0.73 ALDH1A1 (0.46) ALDH1A1HTT
SCHEMBL1934369 0.71 ALDH1A1 (0.65) ALDH1A1HTTKDM4EHRH3SMN1; SMN2

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 ALDH1A1 3363/4885HTT 3144/4885KDM4E 2968/4885

“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.