SCHEMBL1936094

SCHEMBL1936094

CN(C)C(=O)C1CCN(Cc2ccc(CC(NC(=O)O)C(C)(C)C)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.43
HTT P42858 2/20 0.43
S1PR5 Q9H228 5/20 0.43
KDM4E B2RXH2 3/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
PKM P14618 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LTA4H P09960 2/20 0.41
ALDH1A1 P00352 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL2239983 0.85 HDAC1 (0.47) SCN4AKDM4ELTA4H
SCHEMBL2236465 0.84 ALDH1A1 (0.44) SCN4ALTA4HALDH1A1
SCHEMBL2238588 0.81 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL2234962 0.81 LTA4H (0.42) SCN4AKDM4ELTA4H
SCHEMBL2239911 0.80 LTA4H (0.49) LTA4H
SCHEMBL2237326 0.80 ALDH1A1 (0.54) HTTLTA4HALDH1A1
SCHEMBL2237876 0.79 FUCA1 (0.42) S1PR5KDM4ES1PR4S1PR1S1PR3
SCHEMBL1935382 0.79 S1PR1 (0.42) S1PR5S1PR4S1PR1S1PR3ALDH1A1
SCHEMBL2240254 0.78 KDM4E (0.45) KDM4ELTA4H
SCHEMBL12009956 0.78 KDM4E (0.64) SCN4AHTTS1PR5KDM4EPKM

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-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 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 (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 SCN4A 785/4885HTT 3144/4885S1PR5 640/4885

“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.