SCHEMBL165364

SCHEMBL165364

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA4 P22748 5/20 0.43
CA9 Q16790 5/20 0.43
PTGS2 P35354 6/20 0.41
PTGS1 P23219 2/20 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
SCHEMBL256549 1.00 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL12367200 0.97 PTGS2 (0.41) CA12CA1CA2CA4CA9
SCHEMBL257131 0.90 PTGS2 (0.43) CA12CA1CA2CA4CA9
SCHEMBL257159 0.90 PTGS2 (0.43) CA12CA1CA2CA4CA9
SCHEMBL166762 0.90 PTGS2 (0.43) CA12CA1CA2CA4CA9
SCHEMBL13396347 0.89 CA12 (0.43) CA12CA1CA2CA4CA9
SCHEMBL13396503 0.87 CA12 (0.42) CA12CA1CA2CA4CA9
SCHEMBL13396356 0.86 CA12 (0.41) CA12CA1CA2CA4CA9
SCHEMBL13396531 0.85 CA12 (0.40) CA12CA1CA2CA4CA9
SCHEMBL6368605 0.84 SLC7A5 (0.44)

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-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-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-20130287866-A1 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) 2013-10-31 US disclosed
EP-2632453-A1 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) 2013-09-04 EP disclosed
US-20120289597-A1 NITRIC OXIDE AMINO ACID ESTERS FOR THE TREATMENT OF CHRONIC PAIN ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-11-15 US disclosed
WO-2012088597-A1 NITRIC OXIDE AMINO ACID ESTERS FOR ENHANCEMENT OF PHYSICAL OR MUSCULAR PERFORMANCE AND THE TREATMENT OF MUSCULAR OR NEUROMUSCULAR DISEASES ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-07-05 WO disclosed
WO-2012079146-A1 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) 2012-06-21 WO disclosed
WO-2012037665-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-03-29 WO disclosed
WO-2012027827-A1 NITRIC OXIDE AMINO ACID ESTERS FOR SKIN REJUVENATION ORAL DELIVERY TECHNOLOGY LTD. (CA) 2012-03-08 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
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-2011041870-A1 NON-STEROIDAL ANTI-INFLAMMATORY DRUGS COADMINISTERED WITH NITRIC OXIDE AMINO ACID ESTER COMPOUNDS AS PROPHYLAXIS IN HYPERTENSIVE PATIENTS NITROGENIX INC. (VG) 2011-04-14 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 (6 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 CA12 3029/4885CA1 2229/4885CA2 1334/4885
US-20130287866-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 CA12 2316/4885CA1 2116/4885CA2 1136/4885
US-20140148438-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS NOS2, NOS1, NOS3 CA12 2305/4885CA1 2425/4885CA2 440/4885
US-20120289597-A1 NITRIC OXIDE AMINO ACID ESTERS FOR THE TREATMENT OF CHRONIC PAIN NOS2, NOS3, NOS1 CA12 1144/4885CA1 1120/4885CA2 275/4885
US-20150093338-A1 NITRIC OXIDE RELEASING AMINO ACID ESTER FOR TREATMENT OF PULMONARY HYPERTENSION AND OTHER RESPIRATORY CONDITIONS NOS2, NOS1, NOS3 CA12 2305/4885CA1 2425/4885CA2 440/4885
US-20170105959-A1 COMPOSITIONS CONTAINING NITRIC OXIDE AMINO ACID ESTERS AND METHODS FOR IMPROVING SEXUAL PERFORMANCE NOS1, NOS2, NOS3 CA12 4112/4885CA1 2920/4885CA2 2659/4885

“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.