SCHEMBL2236062

SCHEMBL2236062

CC(C)(C)N(Cc1ccc(CN2CCC2)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.48
CXCR4 P61073 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
OPRM1 P35372 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHKA P35790 1/20 0.43

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 0.95 HRH3 (0.54) HRH3CXCR4ALDH1A1KDM4EMEN1
SCHEMBL2238150 0.84 MCHR1 (0.50) HRH3ALDH1A1KDM4EOPRM1HDAC1
SCHEMBL2234834 0.82 ALDH1A1 (0.49) HRH3CXCR4ALDH1A1KDM4EMEN1
SCHEMBL2235236 0.81 ALDH1A1 (0.42) HRH3CXCR4ALDH1A1KDM4EHTT
SCHEMBL2238650 0.77 ALDH1A1 (0.56) HRH3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8844605 0.77 OPRM1 (0.50) ALDH1A1KDM4EOPRM1MEN1HTT
SCHEMBL18527956 0.75 MEN1 (0.51) ALDH1A1MEN1HTTKMT2AL3MBTL1
SCHEMBL356816 0.75 MEN1 (0.51) ALDH1A1MEN1HTTKMT2AL3MBTL1
SCHEMBL8773482 0.75 MEN1 (0.69) ALDH1A1MEN1HTTKMT2AL3MBTL1
SCHEMBL2238599 0.74 OPRM1 (0.51) ALDH1A1KDM4EOPRM1MEN1KMT2A

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 HRH3 11/4885CXCR4 210/4885ALDH1A1 3363/4885

“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.