SCHEMBL9846852

SCHEMBL9846852

O=C1CN(C2CCCCC2N2CC(=O)NC(=O)C2)CC(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TOP2A P11388 3/20 0.39
TOP2B Q02880 3/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CRBN Q96SW2 5/20 0.39
OPRM1 P35372 2/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
PTGS1 P23219 2/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 1/20 0.32
OPRL1 P41146 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9846845 1.00 ALDH1A1 (0.39) ALDH1A1TOP2ATOP2BMAPTTDP1
SCHEMBL9846838 1.00 ALDH1A1 (0.39) ALDH1A1TOP2ATOP2BMAPTTDP1
SCHEMBL4788789 0.92 TOP2A (0.41) ALDH1A1TOP2ATOP2BMAPTTDP1
SCHEMBL4788784 0.92 TOP2A (0.41) ALDH1A1TOP2ATOP2BMAPTTDP1
SCHEMBL9139881 0.92 TOP2A (0.41) ALDH1A1TOP2ATOP2BMAPTTDP1
SCHEMBL9139167 0.82 TOP2A (0.41) ALDH1A1TOP2ATOP2BMAPTTDP1
SCHEMBL9139155 0.82 TOP2A (0.41) ALDH1A1TOP2ATOP2BMAPTTDP1
SCHEMBL14529652 0.78 OPRM1 (0.41) ALDH1A1TOP2ATOP2BMAPTTDP1
SCHEMBL8518182 0.75 TOP2A (0.40) ALDH1A1TOP2ATOP2BMAPTTDP1
SCHEMBL13103999 0.70 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038480-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESERCH FOUNDATION INCORPORTED (US) 2015-02-05 US claimed
WO-2012162697-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2012-11-29 WO claimed
US-9629848-B2 Compounds that modulate autoimmunity and methods of using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-04-25 US disclosed
US-9629848-B2 Compounds that modulate autoimmunity and methods of using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-04-25 US disclosed
US-9629848-B2 Compounds that modulate autoimmunity and methods of using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-04-25 US disclosed
US-20150038480-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESERCH FOUNDATION INCORPORTED (US) 2015-02-05 US disclosed
US-20150038480-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESERCH FOUNDATION INCORPORTED (US) 2015-02-05 US disclosed
US-20150038480-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESERCH FOUNDATION INCORPORTED (US) 2015-02-05 US disclosed
WO-2012162697-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2012-11-29 WO disclosed
EP-0409499-A2 Pharmaceutical compositions BTG INTERNATIONAL LIMITED (GB) 1991-01-23 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-20150038480-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME HLA-DRB1, IAPP, CD74 ALDH1A1 3356/4885TOP2A 3177/4885TOP2B 2952/4885

“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.