SCHEMBL6158218

SCHEMBL6158218

CCc1cccc(N=C(N)N(C)c2cccc(CC)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 1.00
TP53 P04637 1/20 0.64
CYP2D6 P10635 1/20 0.64
TSHR P16473 1/20 0.64
THPO P40225 1/20 0.64
MTOR P42345 1/20 0.64

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
SCHEMBL6720812 0.92 SIGMAR1 (0.85) SIGMAR1
SCHEMBL6727463 0.92 SIGMAR1 (0.85) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL6724568 0.87 SIGMAR1 (0.77) SIGMAR1
SCHEMBL8497150 0.86 SIGMAR1 (0.75) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL8194426 0.86 SIGMAR1 (0.75) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL7647490 0.86 SIGMAR1 (0.78) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL6717192 0.85 SIGMAR1 (0.73) SIGMAR1
SCHEMBL6721184 0.85 SIGMAR1 (0.73) SIGMAR1
SCHEMBL6721400 0.84 SIGMAR1 (0.72) SIGMAR1
SCHEMBL6720759 0.82 SIGMAR1 (0.69) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20030027801-A1 Methods of treatment of eye trauma and disorders WYETH 2003-02-06 US claimed
EP-0517852-B1 TRI- AND TETRA-SUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS OREGON STATE (US) 2002-07-10 EP claimed
JP-3298875-B2 2002-07-08 JP claimed
US-6251948-B1 Tri-and tetra-substituted 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 AND THE UNIVERSITY OF OREGON 2001-06-26 US claimed
US-6242198-B1 ADMINISTERING GUANIDINE COMPOUND CAMBRIDGE NEUROSCIENCE, INC. 2001-06-05 US 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
US-5798390-A Tri- and tetra-substituted 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 AND THE UNIVERSITY OF OREGON (US) 1998-08-25 US claimed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO claimed
US-5559154-A Tri- and tetra-substituted guanidines and their use as excitatory amino acid antagonists OREGON STATE BOARD OF HIGHER EDUCATION 1996-09-24 US claimed
US-5336689-A Treating diseases of the nervous system; 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 THE UNIVERSITY OF OREGON (US) 1994-08-09 US claimed
EP-0517852-A4 1994-03-02 EP claimed
US-5262568-A Neuroprotective compounds, high binding affinity for phencyclidine, nervous system disorders STATE OF OREGON (US) 1993-11-16 US claimed
EP-0517852-A1 TRI- AND TETRA-SUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) 1992-12-16 EP claimed
WO-1991012797-A1 TRI- AND TETRA-SUBSTITUTED 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 HEALF SCIENCES UNIVERSITY (US) 1991-09-05 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
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 disclosed
WO-1991012797-A1 TRI- AND TETRA-SUBSTITUTED 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 HEALF SCIENCES UNIVERSITY (US) 1991-09-05 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 SIGMAR1 3775/4885TP53 4568/4885CYP2D6 4775/4885

“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.