SCHEMBL564916

SCHEMBL564916

CCCCCNC1NCCN1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.50
GNAO1 P09471 3/20 0.50
GNAI1 P63096 3/20 0.50
GBA1 P04062 6/20 0.42
PRCP P42785 2/20 0.42
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
FUCA1 P04066 6/20 0.38

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
SCHEMBL11214480 0.91 GNAI3 (0.47) GNAI3GNAO1GNAI1GBA1PRCP
SCHEMBL11302086 0.76 GNAI3 (0.53) GNAI3GNAO1GNAI1GBA1PRCP
SCHEMBL7042804 0.74 GNAI3 (0.56) GNAI3GNAO1GNAI1GBA1PRCP
SCHEMBL7041937 0.74 GNAI3 (0.56) GNAI3GNAO1GNAI1GBA1PRCP
SCHEMBL7043466 0.73 GNAI3 (0.50) GNAI3GNAO1GNAI1GBA1PRCP
SCHEMBL11667780 0.71 GNAI3 (0.38) GNAI3GNAO1GNAI1GBA1PRCP
SCHEMBL10906234 0.71 PRCP (0.49) GNAI3GNAO1GNAI1GBA1PRCP
SCHEMBL6401701 0.70 GNAI3 (0.51) GNAI3GNAO1GNAI1GBA1PRCP
SCHEMBL10945126 0.70 GNAI3 (0.51) GNAI3GNAO1GNAI1GBA1PRCP
SCHEMBL3265058 0.70 GNAI3 (0.92) GNAI3GNAO1GNAI1GBA1PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846674-B2 Nitric oxide enhancing prostaglandin compounds, compositions and methods of use NICOX, S.A. (FR) 2014-09-30 US disclosed
US-20120034321-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. 2012-02-09 US disclosed
US-8067414-B2 Nitric oxide enhancing prostaglandin compounds, compositions and methods of use NICOX S.A. (FR) 2011-11-29 US disclosed
US-20100240622-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2010-09-23 US disclosed
US-20090215838-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2009-08-27 US disclosed
US-20090012057-A1 Cardiovascular Compounds Comprising Nitric Oxide Enhancing Groups, Compositions and Methods of Use NITROMED, INC. (US) 2009-01-08 US disclosed
EP-2007705-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2008-12-31 EP disclosed
US-20080306041-A1 Cardiovascular Compounds Comprising Heterocyclic Nitric Oxide Donor Groups, Compositions and Methods of Use NICOX S.A. (FR) 2008-12-11 US disclosed
US-20080300292-A1 Nitrosated and Nitrosylated Compounds, Compositions and Methods for the Treatment of Ophthalmic Disorders NITROMED, INC (US) 2008-12-04 US disclosed
US-20080293678-A1 Organic Nitric Oxide Donor Salts of Angiotensin Converting Enzyme Inhibitors, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-27 US disclosed
WO-2006102071-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN CONVERTING ENZYME INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-09-28 WO disclosed
WO-2006099058-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-09-21 WO disclosed
WO-2006093864-A1 CARDIOVASCULAR COMPOUNDS COMPRISING NITRIC OXIDE ENHANCING GROUPS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-09-08 WO disclosed
WO-2006078995-A1 CARDIOVASCULAR COMPOUNDS COMPRISING HETEROCYCLIC NITRIC OXIDE DONOR GROUP COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-07-27 WO disclosed
WO-2006052899-A2 NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF OPHTHALMIC DISORDERS NITROMED, INC. (US) 2006-05-18 WO disclosed
US-4396617-A FUNGICIDES DUPHAR INTERNATIONAL B.V. (NL) 1983-08-02 US disclosed
US-4374143-A AS FUNGICIDES DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1983-02-15 US disclosed
EP-0007438-B1 SUBSTITUTED 2-PHENYLAMINO-2-IMIDAZOLINES, THEIR ACID ADDITION SALTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION C.H. BOEHRINGER SOHN (DE) 1982-09-01 EP disclosed
EP-0001663-B1 NOVEL 2-ARYLAMINO-HEXAHYDROPYRIMIDINES AND -IMIDAZOLIDINES, SALTS AND COMPLEXES THEREOF, METHOD OF PREPARING THE NOVEL COMPOUNDS AND FUNGICIDAL COMPOSITIONS WHICH CONTAIN THE NOVEL COMPOUNDS DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1982-05-12 EP disclosed
EP-0001663-A1 Novel 2-arylamino-hexahydropyrimidines and -imidazolidines, salts and complexes thereof, method of preparing the novel compounds and fungicidal compositions which contain the novel compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1979-05-02 EP 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 (7 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-20090215838-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NOS2, NOS3, NOS1 GNAI3 2450/4885GNAO1 805/4885GNAI1 2560/4885
US-20100240622-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE PTGIS, NOS2, NOS1 GNAI3 1027/4885GNAO1 294/4885GNAI1 737/4885
US-20080300292-A1 Nitrosated and Nitrosylated Compounds, Compositions and Methods for the Treatment of Ophthalmic Disorders NOS3, NOS1, NOS2 GNAI3 345/4885GNAO1 201/4885GNAI1 405/4885
US-20090012057-A1 Cardiovascular Compounds Comprising Nitric Oxide Enhancing Groups, Compositions and Methods of Use REN, EDNRB, ECE1 GNAI3 1642/4885GNAO1 418/4885GNAI1 1476/4885
US-20080306041-A1 Cardiovascular Compounds Comprising Heterocyclic Nitric Oxide Donor Groups, Compositions and Methods of Use REN, NOX5, NOS3 GNAI3 1406/4885GNAO1 399/4885GNAI1 1516/4885
US-20120034321-A1 NITRIC OXIDE ENHANCING PROSTAGLANDIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE PTGIS, NOS2, PTGS1 GNAI3 721/4885GNAO1 173/4885GNAI1 560/4885
US-20080293678-A1 Organic Nitric Oxide Donor Salts of Angiotensin Converting Enzyme Inhibitors, Compositions and Methods of Use NOS3, REN, NOS1 GNAI3 2417/4885GNAO1 1419/4885GNAI1 2487/4885

“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.