SCHEMBL1936070

SCHEMBL1936070

CN1CCN(C2CCC(NC(=O)O)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
PDE7A Q13946 2/20 0.45
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SIGMAR1 Q99720 5/20 0.43
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX15 P16050 1/20 0.37
USP5 P45974 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 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
SCHEMBL21847058 0.86 ALDH1A1 (0.46) KDM4EALDH1A1POLBHSD17B10SIGMAR1
SCHEMBL12793041 0.86 POLB (0.44) KDM4EALDH1A1PDE7APOLBHSD17B10
SCHEMBL3226408 0.86 POLB (0.44) KDM4EALDH1A1PDE7APOLBHSD17B10
SCHEMBL23173069 0.84 POLB (0.42) KDM4EALDH1A1PDE7APOLBHSD17B10
SCHEMBL3272642 0.83 SIGMAR1 (0.51) POLBHSD17B10SIGMAR1L3MBTL3L3MBTL1
SCHEMBL22191535 0.83 SIGMAR1 (0.48) PDE7APOLBHSD17B10SIGMAR1L3MBTL3
SCHEMBL3272638 0.83 SIGMAR1 (0.51) POLBHSD17B10SIGMAR1L3MBTL3L3MBTL1
SCHEMBL15190856 0.83 SIGMAR1 (0.51) POLBHSD17B10SIGMAR1L3MBTL3L3MBTL1
SCHEMBL22208127 0.83 POLB (0.46) KDM4EALDH1A1PDE7APOLBHSD17B10
SCHEMBL4777482 0.81 SIGMAR1 (0.54) POLBHSD17B10SIGMAR1L3MBTL3L3MBTL1

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 3 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
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 (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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 KDM4E 2806/4885ALDH1A1 3283/4885PDE7A 1998/4885

“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.