SCHEMBL5962492

SCHEMBL5962492

CC(C)(C)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.64
CHRM2 P08172 2/20 0.64
CHRM4 P08173 2/20 0.64
CHRM3 P20309 1/20 0.64
OPRM1 P35372 10/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
OPRK1 P41145 3/20 0.61
OPRL1 P41146 3/20 0.61
HSD11B1 P28845 1/20 0.61
SLC18A3 Q16572 1/20 0.58
OPRD1 P41143 1/20 0.57

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
SCHEMBL7488468 0.87 OPRM1 (0.60) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL22605862 0.86 CHRM1 (0.57) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL7491969 0.86 HSD11B1 (0.58) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL4152396 0.84 CYP2D6 (0.70) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL7491573 0.84 OPRM1 (0.64) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL7489071 0.84 OPRM1 (0.65) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL11299007 0.84 OPRM1 (0.62) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL319049 0.83 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL7493374 0.83 OPRM1 (0.63) CHRM1CHRM2CHRM4CHRM3OPRM1
Hydrochloric Acid SCHEMBL11205630 0.83 CYP2D6 (0.68) CHRM1CHRM2CHRM4CHRM3OPRM1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9724321-B2 Histone deacetylase inhibitors PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 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-20140213620-A1 HISTONE DEACETYLASE INHIBITORS BRADNER JAMES ELLIOT (US) 2014-07-31 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-20130018103-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-01-17 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-8178579-B2 Histone deacetylase inhibitors; anticancer agents; antiprotozoa agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-15 US disclosed
US-7732438-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-06-08 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
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 US disclosed
US-20080261972-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-10-23 US disclosed
US-20070287697-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2007-12-13 US disclosed
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 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 (10 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-20130018103-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 CHRM1 4861/4885CHRM2 4856/4885CHRM4 4884/4885
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 CHRM1 67/4885CHRM2 112/4885CHRM4 461/4885
US-20140213620-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 CHRM1 4723/4885CHRM2 4712/4885CHRM4 4800/4885
US-20160143874-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 CHRM1 4350/4885CHRM2 4368/4885CHRM4 4497/4885
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 CHRM1 4861/4885CHRM2 4856/4885CHRM4 4884/4885
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors HDAC6, HDAC1, HDAC5 CHRM1 4451/4885CHRM2 4722/4885CHRM4 4852/4885
US-20080261972-A1 Cgrp Receptor Antagonists BDKRB1, CALCRL, NPY1R CHRM1 243/4885CHRM2 305/4885CHRM4 555/4885
US-20100056588-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 CHRM1 4723/4885CHRM2 4712/4885CHRM4 4800/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 CHRM1 4050/4885CHRM2 3176/4885CHRM4 4599/4885
US-20070287697-A1 Cgrp Receptor Antagonists BDKRB1, BDKRB2, CCKBR CHRM1 224/4885CHRM2 169/4885CHRM4 430/4885

“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.