SCHEMBL166762

SCHEMBL166762

CC(C)[C@H](N)C(=O)OCCO[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.43
PTGS1 P23219 2/20 0.43
SLC7A5 Q01650 1/20 0.34
COMT P21964 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.32
HBB P68871 1/20 0.32

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
SCHEMBL257131 1.00 PTGS2 (0.43) PTGS2PTGS1SLC7A5COMTCA12
SCHEMBL257159 1.00 PTGS2 (0.43) PTGS2PTGS1SLC7A5COMTCA12
Cadaverine Tartrate SCHEMBL1666549 0.91 PTGS2 (0.41) PTGS2PTGS1SLC7A5COMT
SCHEMBL12367200 0.90 PTGS2 (0.41) PTGS2PTGS1CA12CA1CA2
SCHEMBL256549 0.90 CA12 (0.43) PTGS2PTGS1CA12CA1CA2
SCHEMBL165364 0.90 CA12 (0.43) PTGS2PTGS1CA12CA1CA2
SCHEMBL12669730 0.88 PTGS2 (0.42) PTGS2PTGS1CA12CA1CA2
SCHEMBL882938 0.88 PTGS2 (0.42) PTGS2PTGS1CA12CA1CA2
SCHEMBL16604228 0.85 PTGS2 (0.40) PTGS2PTGS1CA12CA1CA2
SCHEMBL15623815 0.82 SLC7A5 (0.48) SLC7A5MEN1KMT2AMAPK1HBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170105959-A1 COMPOSITIONS CONTAINING NITRIC OXIDE AMINO ACID ESTERS AND METHODS FOR IMPROVING SEXUAL PERFORMANCE SMARTEK INTERNATIONAL, INC. 2017-04-20 US disclosed
US-20150202175-A1 Nitric Oxide Amino Acid Esters for Improving Vascular Circulation, and Prophylaxis or Treatment of a Condition Associated with Impaired Blood Circulation FARBER MICHAEL (US) 2015-07-23 US disclosed
US-9085508-B2 Nitric oxide releasing amino acid ester compound, composition and method of use ORAL DELIVERY TECHNOLOGY LTD. (US) 2015-07-21 US disclosed
US-9085528-B2 Nitric oxide amino acid ester compound, composition for increasing nitric oxide levels and method of use ORAL DELIVERY TECHNOLOGY LTD. (US) 2015-07-21 US disclosed
EP-2342175-B1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NITROGENIX INC (VG) 2015-05-27 EP disclosed
US-20150093338-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS FARBER MICHAEL (US) 2015-04-02 US disclosed
US-8946160-B2 Nitric oxide amino acid esters for improving vascular circulation, and prophylaxis or treatment of a condition associated with impaired blood circulation ORAL DELIVERY TECHNOLOGY LTD. (CA) 2015-02-03 US disclosed
US-8883844-B2 Nitric oxide releasing amino acid ester for treatment of pulmonary hypertension and other respiratory conditions NITROGENIX INC. (VG) 2014-11-11 US disclosed
US-20140148438-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS NITROGENIX, INC. (VG) 2014-05-29 US disclosed
US-20140057873-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE FARBER MICHAEL (US) 2014-02-27 US disclosed
WO-2012027827-A1 NITRIC OXIDE AMINO ACID ESTERS FOR SKIN REJUVENATION ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-03-08 WO disclosed
WO-2012027827-A1 NITRIC OXIDE AMINO ACID ESTERS FOR SKIN REJUVENATION ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-03-08 WO disclosed
US-20110195935-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE BENOIT & COTE (CA) 2011-08-11 US disclosed
EP-2342175-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE Nitrogenix Inc. (VG) 2011-07-13 EP disclosed
WO-2011057387-A1 NITRIC OXIDE AMINO ACID ESTERS FOR THE TREATMENT OF CHRONIC PAIN ORAL DELIVERY TECHNOLOGY LTD . (CA) 2011-05-19 WO disclosed
WO-2011057386-A1 COMPOSITION AND PROPHYLACTIC DEVICE FOR ENHANCING SEXUAL PERFORMANCE OR PLEASURE ORAL DELIVERY TECHNOLOGY LTD. (CA) 2011-05-19 WO disclosed
US-20100311780-A1 Nitric oxide amino acid ester compound, composition for increasing nitirc oxide levels and method of use ORAL DELIVERY TECHNOLOGY LTD. (CA) 2010-12-09 US disclosed
US-7807716-B2 Nitric oxide amino acid ester compound, compositions for increasing nitric oxide levels and method of use ORAL DELIVERY TECHNOLOGY LTD. (CA) 2010-10-05 US disclosed
WO-2010034118-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE ORAL DELIVERY TECHNOLOGY LTD. (CA) 2010-04-01 WO disclosed
US-20100076043-A1 NITRIC OXIDE AMINO ACID ESTER COMPOUND, COMPOSITIONS FOR INCREASING NITRIC OXIDE LEVELS AND METHOD OF USE ORAL DELIVERY TECHNOLOGY LTD. (CA) 2010-03-25 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 (8 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-20150202175-A1 Nitric Oxide Amino Acid Esters for Improving Vascular Circulation, and Prophylaxis or Treatment of a Condition Associated with Impaired Blood Circulation NOS1, NOS2, NOS3 PTGS2 166/4885PTGS1 76/4885SLC7A5 52/4885
US-20100076043-A1 NITRIC OXIDE AMINO ACID ESTER COMPOUND, COMPOSITIONS FOR INCREASING NITRIC OXIDE LEVELS AND METHOD OF USE NOS1, NOS2, NOS3 PTGS2 305/4885PTGS1 131/4885SLC7A5 97/4885
US-20140148438-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS NOS2, NOS1, NOS3 PTGS2 145/4885PTGS1 84/4885SLC7A5 62/4885
US-20110195935-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NOS2, NOS3, NOS1 PTGS2 68/4885PTGS1 41/4885SLC7A5 89/4885
US-20150093338-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS NOS2, NOS1, NOS3 PTGS2 145/4885PTGS1 84/4885SLC7A5 62/4885
US-20100311780-A1 Nitric oxide amino acid ester compound, composition for increasing nitirc oxide levels and method of use NOS1, NOS2, NOS3 PTGS2 852/4885PTGS1 334/4885SLC7A5 60/4885
US-20170105959-A1 COMPOSITIONS CONTAINING NITRIC OXIDE AMINO ACID ESTERS AND METHODS FOR IMPROVING SEXUAL PERFORMANCE NOS1, NOS2, NOS3 PTGS2 734/4885PTGS1 358/4885SLC7A5 190/4885
US-20140057873-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER COMPOUND, COMPOSITION AND METHOD OF USE NOS2, NOS3, NOS1 PTGS2 68/4885PTGS1 41/4885SLC7A5 89/4885

“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.