SCHEMBL6154505

SCHEMBL6154505

N=C(NC1C2CC3CC(C2)CC1C3)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.58
L3MBTL1 Q9Y468 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HSD11B1 P28845 3/20 0.47
SIGMAR1 Q99720 2/20 0.47
NPC1 O15118 1/20 0.44
EPHX1 P07099 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL27125763 0.83 SIGMAR1 (0.47) EPHX2L3MBTL1HSD17B10HSD11B1SIGMAR1
SCHEMBL9115097 0.80 EPHX2 (0.54) EPHX2L3MBTL1HSD17B10HSD11B1SIGMAR1
SCHEMBL6156206 0.80 EPHX2 (0.64) EPHX2L3MBTL1HSD17B10SIGMAR1EPHX1
Hydrochloric Acid SCHEMBL9115349 0.78 SIGMAR1 (0.55) EPHX2L3MBTL1HSD17B10HSD11B1SIGMAR1
SCHEMBL6154898 0.77 EPHX2 (0.38) EPHX2L3MBTL1HSD17B10HSD11B1SIGMAR1
SCHEMBL4984325 0.76 EPHX2 (0.43) EPHX2HSD11B1KMT2A
SCHEMBL3069167 0.74 EPHX2 (0.70) EPHX2L3MBTL1HSD17B10HSD11B1NPC1
SCHEMBL3073976 0.74 EPHX2 (1.00) EPHX2L3MBTL1HSD17B10HSD11B1KMT2A
SCHEMBL6158182 0.73 HSD11B1 (0.48) EPHX2HSD11B1
SCHEMBL10139230 0.72 EPHX2 (0.50) EPHX2L3MBTL1HSD17B10HSD11B1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030027801-A1 Methods of treatment of eye trauma and disorders WYETH 2003-02-06 US claimed
US-6358696-B1 ADMINISTERING THERAPEUTICALLY EFFECTIVE AMOUNT OF ONE OR MORE SUBSTITUTED GUANIDINES TO TREAT DECREASED BLOOD FLOW OR NUTRIENT SUPPLY TO RETINAL TISSUE OR OPTIC NERVE, OR RETINAL ISCHEMIA OR TRAUMA, OR OPTIC NERVE INJURY WYETH 2002-03-19 US claimed
EP-0940139-A2 Substituted guanidines and derivatives thereof as modulators of neurotransmitter release and novel methodology for identifying neurotransmitter release blockers CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1999-09-08 EP claimed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP claimed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO claimed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO claimed
US-5385946-A Method for treating hypertension with disubstituted granidine compounds STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1995-01-31 US claimed
EP-0584088-A4 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS. CAMBRIDGE NEUROSCIENCE RES (US) 1995-01-18 EP claimed
US-5312840-A Substituted guanidines having high binding to the sigma receptor and the use thereof STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION (US) 1994-05-17 US claimed
EP-0584088-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1994-03-02 EP claimed
WO-1992014697-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1992-09-03 WO claimed
EP-0314690-A4 SIGMA BRAIN RECEPTOR LIGANDS AND THEIR USE. OREGON STATE (US) 1989-11-07 EP claimed
EP-0314690-A1 SIGMA BRAIN RECEPTOR LIGANDS AND THEIR USE. OREGON STATE (US) 1989-05-10 EP claimed
WO-1988000583-A1 SIGMA BRAIN RECEPTOR LIGANDS AND THEIR USE STATE OF OREGON ACTING BY AND THROUGH THE STATE BO (US) 1988-01-28 WO claimed
EP-0940139-B1 Substituted guanidines and derivatives thereof as modulators of neurotransmitter release and novel methodology for identifying neurotransmitter release blockers SCION PHARMACEUTICALS INC (US) 2005-02-02 EP disclosed
US-6673557-B2 ADMINISTERING SUBSTITUED GUANIDINE COMPOUNDS FOR THERAPY OF DECREASED BLOOD FLOW OR NUTRIENT SUPPLY TO RETINAL TISSUE OR OPTIC NERVE, OR RETINAL ISCHEMIA OR TRAUMA, OR OPTIC NERVE INJURY WYETH 2004-01-06 US disclosed
US-20030027801-A1 Methods of treatment of eye trauma and disorders WYETH 2003-02-06 US disclosed
EP-0314690-A4 SIGMA BRAIN RECEPTOR LIGANDS AND THEIR USE. OREGON STATE (US) 1989-11-07 EP disclosed
EP-0314690-A1 SIGMA BRAIN RECEPTOR LIGANDS AND THEIR USE. OREGON STATE (US) 1989-05-10 EP disclosed
WO-1988000583-A1 SIGMA BRAIN RECEPTOR LIGANDS AND THEIR USE STATE OF OREGON ACTING BY AND THROUGH THE STATE BO (US) 1988-01-28 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 (1 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-20030027801-A1 Methods of treatment of eye trauma and disorders RBP4, ALDH1A2, RBP1 EPHX2 3426/4885L3MBTL1 2982/4885HSD17B10 927/4885

“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.