SCHEMBL6422901

SCHEMBL6422901

Cc1cccc(N=C(N)Nc2cccc(C)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 1.00
GRIN2D O15399 7/20 1.00
GRIN3B O60391 7/20 1.00
GRIN1 Q05586 7/20 1.00
GRIN2A Q12879 7/20 1.00
GRIN2B Q13224 7/20 1.00
GRIN2C Q14957 7/20 1.00
GRIN3A Q8TCU5 7/20 1.00
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
POLB P06746 1/20 0.64
CRHBP P24387 1/20 0.64
CRHR2 Q13324 1/20 0.64
HTR3E A5X5Y0 2/20 0.61
HTR3B O95264 2/20 0.61
HTR3A P46098 2/20 0.61
HTR3D Q70Z44 2/20 0.61
HTR3C Q8WXA8 2/20 0.61
LMNA P02545 1/20 0.56
SLC6A2 P23975 1/20 0.56

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
SCHEMBL27003088 0.92 SIGMAR1 (0.85) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6720947 0.88 SIGMAR1 (0.85) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6727516 0.87 SIGMAR1 (0.84) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6717633 0.87 SIGMAR1 (0.86) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6728271 0.87 SIGMAR1 (0.76) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6720810 0.87 SIGMAR1 (0.84) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6720704 0.87 SIGMAR1 (0.86) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6512853 0.85 SIGMAR1 (0.72) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6507964 0.85 SIGMAR1 (0.72) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6513644 0.80 SIGMAR1 (0.64) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO claimed
EP-0532642-A4 1994-04-27 EP claimed
EP-0532642-A1 SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) 1993-03-24 EP claimed
WO-1991018868-A1 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, acting for and onbehalf of the OREGON HEALTH SCIENCES UNIVERSITY (US) 1991-12-12 WO claimed
US-4906779-A N,N'-disubstituted guanidines and their use as excitatory amino acid antagonists 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 (US) 1990-03-06 US claimed
JP-3220169-A None JP disclosed
US-20050031651-A1 Administering a combination of an agent that treats an amyloid-P disease, neurodegeneration, or cellular toxicity; and said second agent is a therapeutic drug or nutritive supplement BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2005-02-10 US 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
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 disclosed
US-6242198-B1 ADMINISTERING GUANIDINE COMPOUND CAMBRIDGE NEUROSCIENCE, INC. 2001-06-05 US disclosed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
EP-0532642-A1 SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) 1993-03-24 EP disclosed
US-5190976-A Neuroprotective 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 UNIVERSITY OF OREGON (US) 1993-03-02 US disclosed
WO-1991018868-A1 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, acting for and onbehalf of the OREGON HEALTH SCIENCES UNIVERSITY (US) 1991-12-12 WO disclosed
JP-H03220169-A N,N'-DISUBSTITUTED GUANIDINE AND ITS USE AS ANTAGONIST OF EXCITATORY AMINO ACID OREGON STATE 1991-09-27 JP disclosed
EP-0423756-A1 Novel guanidine type compound, toner for developing electrostatic images, developer for developing electrostatic images, apparatus unit, electrophotographic apparatus and facsimile apparatus CANON KABUSHIKI KAISHA (JP) 1991-04-24 EP disclosed
US-4906779-A N,N'-disubstituted guanidines and their use as excitatory amino acid antagonists 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 (US) 1990-03-06 US disclosed
US-4906779-A N,N'-disubstituted guanidines and their use as excitatory amino acid antagonists 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 (US) 1990-03-06 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 (2 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-20050031651-A1 Administering a combination of an agent that treats an amyloid-P disease, neurodegeneration, or cellular toxicity; and said second agent is a therapeutic drug or nutritive supplement APP, IAPP, PSEN1 SIGMAR1 3090/4885GRIN2D 2584/4885GRIN3B 1513/4885
US-20030027801-A1 Methods of treatment of eye trauma and disorders RBP4, ALDH1A2, RBP1 SIGMAR1 3775/4885GRIN2D 3242/4885GRIN3B 1756/4885

“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.