SCHEMBL2013628

SCHEMBL2013628

COC(=O)CCCO[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ESR2 Q92731 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL2010262 0.94 TSHR (0.52) TSHRLMNAALDH1A1ESR2PTGS2
SCHEMBL2010998 0.92 TSHR (0.50) TSHRLMNAALDH1A1ESR2KMT2A
SCHEMBL2009498 0.92 TSHR (0.50) TSHRLMNAALDH1A1ESR2KMT2A
SCHEMBL2010947 0.92 TSHR (0.50) TSHRLMNAALDH1A1ESR2KMT2A
SCHEMBL2016061 0.92 TSHR (0.50) TSHRLMNAALDH1A1ESR2KMT2A
SCHEMBL2012153 0.92 TSHR (0.50) TSHRLMNAALDH1A1ESR2KMT2A
SCHEMBL14152352 0.92 TSHR (0.50) TSHRLMNAALDH1A1ESR2KMT2A
SCHEMBL2011016 0.88 TSHR (0.50) TSHRLMNAALDH1A1MAPTMEN1
SCHEMBL2010912 0.81 CYP1A2 (0.50) TSHRALDH1A1MAPTPTGS2
SCHEMBL13979249 0.79 PTGS2 (0.41) ALDH1A1ESR2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606525-B2 Dimethyltryptamine analogues as nitric oxide delivery drugs ATAI THERAPEUTICS, INC. (US) 2026-04-21 US disclosed
US-20260028324-A1 NITRIC OXIDE RELEASING PRODRUGS OF MDA AND MDMA EMPATHBIO INC (US) 2026-01-29 US disclosed
US-20240400511-A1 DIMETHYLTRYPTAMINE ANALOGUES AS NITRIC OXIDE DELIVERY DRUGS ATAI THERAPEUTICS, INC. 2024-12-05 US disclosed
EP-4457214-A2 DIMETHYLTRYPTAMINE ANALOGUES AS NITRIC OXIDE DELIVERY DRUGS ATAI Therapeutics, Inc. (US) 2024-11-06 EP disclosed
EP-4457222-A2 NITRIC OXIDE RELEASING PRODRUGS OF MDA AND MDMA EmpathBio, Inc. (US) 2024-11-06 EP disclosed
US-12012381-B2 Dimethyltryptamine analogues as nitric oxide delivery drugs ATAI THERAPEUTICS, INC. (US) 2024-06-18 US disclosed
US-11912680-B2 Nitric oxide releasing prodrugs of MDA and MDMA EMPATHBIO, INC. (US) 2024-02-27 US disclosed
US-11912680-B2 Nitric oxide releasing prodrugs of MDA and MDMA EMPATHBIO, INC. (US) 2024-02-27 US disclosed
US-20230227407-A1 DIMETHYLTRYPTAMINE ANALOGUES AS NITRIC OXIDE DELIVERY DRUGS ATAI THERAPEUTICS, INC. 2023-07-20 US disclosed
US-20230227407-A1 DIMETHYLTRYPTAMINE ANALOGUES AS NITRIC OXIDE DELIVERY DRUGS ATAI THERAPEUTICS, INC. 2023-07-20 US disclosed
US-8784871-B2 Nitrooxy alkanoic acids and derivatives thereof in feed for reducing methane emission in ruminants, and/or to improve ruminant performance DSM IP ASSETS B.V. (NL) 2014-07-22 US disclosed
US-20140134282-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2014-05-15 US disclosed
EP-2509435-B1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS BV (NL) 2014-02-26 EP disclosed
US-20120315339-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2012-12-13 US disclosed
EP-2509435-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2012-10-17 EP disclosed
WO-2011101245-A1 NITRIC OXIDE RELEASING COMPOUNDS FOR THE TREATMENT OF NEUROPATHIC PAIN NICOX S.A. (FR) 2011-08-25 WO disclosed
WO-2011092065-A1 NITRIC OXIDE RELEASING COMPOUNDS FOR THE TREATMENT OF NEUROPHATIC PAIN NICOX S.A. (FR) 2011-08-04 WO disclosed
WO-2011070133-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2011-06-16 WO disclosed
US-20110130375-A1 NEW NO-RELEASING STEROIDS FOR THE TREATMENT OF RETINA AND MACULA LUTEA DISEASES NICOX S.A. (FR) 2011-06-02 US disclosed
WO-2009136281-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2009-11-12 WO 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 (9 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-20140134282-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE PIGS, TECR, CYP4X1 TSHR 630/4885LMNA 901/4885ALDH1A1 2126/4885
US-20230227407-A1 DIMETHYLTRYPTAMINE ANALOGUES AS NITRIC OXIDE DELIVERY DRUGS NOS2, NOS1, NOS3 TSHR 1484/4885LMNA 3271/4885ALDH1A1 860/4885
US-20120315339-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE PIGS, TECR, CYP4X1 TSHR 630/4885LMNA 901/4885ALDH1A1 2126/4885
US-20110130375-A1 NEW NO-RELEASING STEROIDS FOR THE TREATMENT OF RETINA AND MACULA LUTEA DISEASES LHCGR, NR5A1, LSS TSHR 345/4885LMNA 1163/4885ALDH1A1 2367/4885
US-20260028324-A1 NITRIC OXIDE RELEASING PRODRUGS OF MDA AND MDMA DBH, SLC6A3, SLC6A2 TSHR 216/4885LMNA 1614/4885ALDH1A1 601/4885
US-20240400511-A1 DIMETHYLTRYPTAMINE ANALOGUES AS NITRIC OXIDE DELIVERY DRUGS NOS2, NOS1, NOS3 TSHR 1484/4885LMNA 3271/4885ALDH1A1 860/4885
US-12012381-B2 Dimethyltryptamine analogues as nitric oxide delivery drugs NOS2, NOS1, NOS3 TSHR 1484/4885LMNA 3271/4885ALDH1A1 860/4885
US-11912680-B2 Nitric oxide releasing prodrugs of MDA and MDMA NOS1, NOS3, NOS2 TSHR 1505/4885LMNA 3995/4885ALDH1A1 185/4885
US-12606525-B2 Dimethyltryptamine analogues as nitric oxide delivery drugs TPH1, TPH2, SLC6A4 TSHR 683/4885LMNA 2727/4885ALDH1A1 1116/4885

“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.