SCHEMBL8445896

SCHEMBL8445896

C=CCN(C)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ADH1A P07327 6/20 0.38
ADH1C P00326 4/20 0.38
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL3683421 0.98 KDM4E (0.47) KDM4EHRH4HRH3ADH1AADH1C
SCHEMBL18967172 0.98
SCHEMBL7587788 0.90
SCHEMBL21553706 0.84 KDM4E (0.35) KDM4EADH1AADH1CSIGMAR1ALDH1A1
SCHEMBL11675895 0.82 SIGMAR1 (0.35) KDM4ESIGMAR1OPRM1OPRD1OPRK1
SCHEMBL19338202 0.81 KDM4E (0.36) KDM4EHRH4HRH3ADH1AADH1C
SCHEMBL14984946 0.80 OPRM1 (0.34) KDM4ESIGMAR1OPRM1OPRD1OPRK1
SCHEMBL29957698 0.78 ADH1A (0.50) KDM4EHRH4HRH3ADH1AADH1C
SCHEMBL29957190 0.76 ADH1A (0.54) KDM4EHRH4HRH3ADH1AADH1C
SCHEMBL3938593 0.76 ADH1A (0.54) KDM4EHRH4HRH3ADH1AADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2017-12-21 US disclosed
US-9724321-B2 Histone deacetylase inhibitors PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed
US-20160143874-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2016-05-26 US disclosed
US-9199923-B2 Histone deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-01 US disclosed
US-20150038581-A1 HISTONE DEACETYLASE INHIBITORS Harvard University & Medical School 2015-02-05 US disclosed
US-8754237-B2 Bifunctional histone deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-17 US disclosed
US-8383855-B2 Histone deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-02-26 US disclosed
US-8304451-B2 Histone deacetylase and tubulin deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-11-06 US disclosed
US-8222423-B2 Bifunctional histone deacetylase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-07-17 US disclosed
US-20100056588-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2010-03-04 US disclosed
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-12-17 US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 US disclosed
WO-2007130429-A2 HISTONE DEACETYLASE AND TUBULIN DEACETYLASE INHIBITORS THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-11-15 WO disclosed
WO-2007095584-A2 Histone Deacetylase Inhibitors THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-08-23 WO disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 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 (7 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-20160143874-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 KDM4E 154/4885HRH4 756/4885HRH3 460/4885
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 KDM4E 209/4885HRH4 507/4885HRH3 374/4885
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors HDAC6, HDAC1, HDAC5 KDM4E 2003/4885HRH4 2451/4885HRH3 2514/4885
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 KDM4E 172/4885HRH4 548/4885HRH3 373/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 KDM4E 164/4885HRH4 2712/4885HRH3 2060/4885
US-20150038581-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 KDM4E 172/4885HRH4 548/4885HRH3 373/4885
US-20100056588-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 KDM4E 172/4885HRH4 548/4885HRH3 373/4885

“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.