SCHEMBL6154962

SCHEMBL6154962

CC1(C)C2CCC1(C)C(N=C(NC1CC3CCC1(C)C3(C)C)N(N)C(=Nc1ccc3c4c(cccc14)C=C3)Nc1ccc3c4c(cccc14)C=C3)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
EPHX2 P34913 6/20 0.36
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SCN2A Q99250 1/20 0.30

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
SCHEMBL7925287 0.86 SIGMAR1 (0.39) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6155066 0.75 SCN2A (0.45) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6154972 0.72 EPHX1 (0.36) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6154456 0.70 SIGMAR1 (0.38) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6157307 0.70 SIGMAR1 (0.38) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8397646 0.69 SCN2A (0.43) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6156180 0.67 EPHX2 (0.37) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6155151 0.65 SIGMAR1 (0.36) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7925286 0.64 EPHX2 (0.36) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6154684 0.64 SIGMAR1 (0.35) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
US-5837737-A MODULATOR OF NEUROTRANSMITTERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-11-17 US claimed
US-5686495-A Substituted hydrazinedicarboximidamides and methods of use thereof CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-11-11 US claimed
US-5652269-A MODULATION OF NEUROTRANSMITTER RELEASE, NEUROPROTECTIVE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-07-29 US claimed
US-5403861-A Treating or preventing nerve cell death CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-04-04 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
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
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
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 disclosed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 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 3775/4885GRIN2D 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.