SCHEMBL8101149

SCHEMBL8101149

CC(C)(C)N1CCC2(CCc3ccccc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.56
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
SLC18A3 Q16572 2/20 0.51

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
SCHEMBL23770525 0.90 SIGMAR1 (0.50) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL8129805 0.90 SIGMAR1 (0.58) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL23770526 0.85 SIGMAR1 (0.47) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL2743258 0.82 SIGMAR1 (0.67) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7379764 0.79 SIGMAR1 (0.64) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL8130931 0.78 OPRM1 (0.44) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL19041309 0.78 SIGMAR1 (0.58) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL29860963 0.78 SIGMAR1 (0.58) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL13518880 0.77 SIGMAR1 (0.59) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL14983907 0.77 RBP4 (0.54) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4

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-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 US disclosed
US-9199976-B2 Haematopoietic-prostaglandin D2 synthase inhibitors THE UNIVERSITY OF QUEENSLAND (AU) 2015-12-01 US disclosed
US-9193749-B2 Dibenzo[b,f][1,4]oxazepin-11-yl-N-hydroxybenzamides as HDAC inhibitors FORUM PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2015-03-19 US disclosed
US-20140179678-A1 METHODS OF TARGETED TREATMENT OF FRONTOTEMPORAL LOBAR DEGENERATION FMR LLC 2014-06-26 US disclosed
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2014-01-09 US disclosed
US-20130137684-A1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2013-05-30 US disclosed
US-8399452-B2 Anticancer agents; antiproliferative agenst; antiprotozoa agents METHYLGENE INC. (CA) 2013-03-19 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-08-11 US disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 US disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 US disclosed
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER, INC. 2007-11-29 US disclosed
US-7268133-B2 Cannabinoid receptor ligands and uses thereof PFIZER, INC. PATENT DEPARTMENT (US) 2007-09-11 US disclosed
US-7247725-B2 Gamma-aminoamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-07-24 US disclosed
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC. 2004-10-28 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 (11 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-20130137684-A1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS HPGDS, PTGES, PTGIS SIGMAR1 4619/4885ALDH1A1 798/4885TP53 2786/4885
US-20040214837-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 SIGMAR1 102/4885ALDH1A1 1683/4885TP53 4878/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 SIGMAR1 4369/4885ALDH1A1 540/4885TP53 2238/4885
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 SIGMAR1 4422/4885ALDH1A1 3980/4885TP53 214/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 SIGMAR1 2073/4885ALDH1A1 1127/4885TP53 1296/4885
US-20140179678-A1 METHODS OF TARGETED TREATMENT OF FRONTOTEMPORAL LOBAR DEGENERATION GRN, PRPH, TDP2 SIGMAR1 2608/4885ALDH1A1 4197/4885TP53 791/4885
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 SIGMAR1 2122/4885ALDH1A1 854/4885TP53 1423/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 SIGMAR1 3572/4885ALDH1A1 235/4885TP53 3710/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 SIGMAR1 4369/4885ALDH1A1 540/4885TP53 2238/4885
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 SIGMAR1 3572/4885ALDH1A1 235/4885TP53 3710/4885
US-20070275964-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 SIGMAR1 133/4885ALDH1A1 1926/4885TP53 4878/4885

“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.