SCHEMBL2235236

SCHEMBL2235236

CC(C)(C)N(Cc1cc(F)cc(CN2CCCC2)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
CCR3 P51677 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
GAA P10253 1/20 0.36
CXCR4 P61073 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.35
ACHE P22303 1/20 0.35
HTT P42858 1/20 0.35

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 0.82 HRH3 (0.54) ALDH1A1KDM4EHRH3CXCR4KMT2A
SCHEMBL2236062 0.81 HRH3 (0.48) ALDH1A1KDM4EHRH3CXCR4KMT2A
SCHEMBL2234834 0.80 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2HRH3CYP2D6
SCHEMBL1362550 0.75 MEN1 (0.42) ALDH1A1KMT2AHTT
SCHEMBL2238150 0.72 MCHR1 (0.50) ALDH1A1KDM4EHRH3
SCHEMBL2108519 0.72 ALDH1A1 (0.63) ALDH1A1KDM4ETDP1SMN1; SMN2POLB
SCHEMBL1936760 0.71 DYRK1A (0.48) ALDH1A1SMN1; SMN2POLBHRH3CYP2D6
SCHEMBL2234826 0.71 MAPT (0.49) ALDH1A1SMN1; SMN2POLBKMT2AHPGD
SCHEMBL17896855 0.71 ALDH1A1 (0.54) ALDH1A1KDM4ETDP1SMN1; SMN2POLB
SCHEMBL17896312 0.70 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1SMN1; SMN2HRH3

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 3363/4885KDM4E 2968/4885TDP1 3467/4885

“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.