SCHEMBL864035

SCHEMBL864035

CCCC(N)c1ccc(OCCN(CC)CC)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.56
EBP Q15125 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
CYP1A2 P05177 1/20 0.50
LTA4H P09960 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
HRH3 Q9Y5N1 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MCHR1 Q99705 1/20 0.47
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
MAPT P10636 1/20 0.46
CHRNA7 P36544 1/20 0.46

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
SCHEMBL864302 0.86 SLC2A1 (0.57) SLC2A1EBPSIGMAR1CYP1A2LTA4H
SCHEMBL2331536 0.84 SLC2A1 (0.47) SLC2A1EBPSIGMAR1CYP1A2LTA4H
SCHEMBL2425061 0.83 EBP (0.55) EBPSIGMAR1CYP1A2LTA4HCYP2D6
SCHEMBL2426949 0.83 EBP (0.55) EBPSIGMAR1CYP1A2LTA4HCYP2D6
SCHEMBL9706125 0.80 EBP (0.72) EBPSIGMAR1CYP1A2LTA4HCYP2D6
SCHEMBL12015816 0.79 KDM4E (0.67) EBPSIGMAR1CYP1A2LTA4HCYP2D6
Coralgil SCHEMBL317407 0.78 EBP (0.61) EBPSIGMAR1CYP1A2LTA4HCYP2D6
Coralgil SCHEMBL26128795 0.78 EBP (0.61) EBPSIGMAR1CYP1A2LTA4HCYP2D6
Coralgil SCHEMBL29989837 0.76 EBP (0.59) EBPSIGMAR1CYP1A2LTA4HCYP2D6
SCHEMBL9827594 0.76 EBP (0.59) EBPSIGMAR1CYP1A2LTA4HCYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619184-B1 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2018-05-23 EP disclosed
US-20140357673-A1 Deubiquitinase Inhibitors and Methods for Use of the Same UNIV MICHIGAN (US) 2014-12-04 US disclosed
US-8809377-B2 Deubiquitinase inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-08-19 US disclosed
WO-2012040527-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 WO disclosed
US-20120077806-A1 Deubiquitinase Inhibitors and Methods for Use of the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 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 (2 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-20140357673-A1 Deubiquitinase Inhibitors and Methods for Use of the Same UCHL1, USP2, USP1 SLC2A1 4639/4885EBP 3246/4885SIGMAR1 4115/4885
US-20120077806-A1 Deubiquitinase Inhibitors and Methods for Use of the Same UCHL1, USP2, USP1 SLC2A1 4639/4885EBP 3246/4885SIGMAR1 4115/4885

“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.