SCHEMBL4984083

SCHEMBL4984083

CC(C)(C)c1ccc(N=C(N)Nc2ccc3c(c2)CCCC3)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.68
TRPV1 Q8NER1 1/20 0.54
SIGMAR1 Q99720 6/20 0.46
GRIN2D O15399 4/20 0.46
GRIN3B O60391 4/20 0.46
GRIN1 Q05586 4/20 0.46
GRIN2A Q12879 4/20 0.46
GRIN2B Q13224 4/20 0.46
GRIN2C Q14957 4/20 0.46
GRIN3A Q8TCU5 4/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC22A2 O15244 1/20 0.45
SLC22A1 O15245 1/20 0.45
SLC22A3 O75751 1/20 0.45
DHODH Q02127 1/20 0.43
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL4982645 0.85 ADRA2A (0.76) ADRA2ASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL4985085 0.82 ADRA2A (0.72) ADRA2ASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL4983449 0.82 SIGMAR1 (0.66) ADRA2ASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL4984078 0.77 TRPV1 (0.60) ADRA2ATRPV1DHODHNPC1ALDH1A1
SCHEMBL21468516 0.75 NPC1 (0.68) TRPV1DHODHNPC1ALDH1A1MAPT
SCHEMBL13676007 0.71 TRPV1 (0.64) TRPV1NPC1ALDH1A1MAPTNFKB1
SCHEMBL3997378 0.70 TRPV1 (1.00) TRPV1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL13676194 0.70 TRPV1 (0.63) TRPV1NPC1ALDH1A1MAPTNFKB1
SCHEMBL3997380 0.70 TRPV1 (1.00) TRPV1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL4983906 0.70 C5AR1 (0.54) ADRA2ASIGMAR1GRIN2DGRIN3BGRIN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995020950-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-08-10 WO claimed
US-7351743-B1 Therapeutic guanidines WYETH (US) 2008-04-01 US disclosed
US-20070265348-A1 N-(4-sec-butylphenyl)-N-benzylguanidine; modulate, particularly inhibit, the release of neurotransmitter such as glutamate; neurodegenerative disease: Parkinson's, Huntington's, Alzheimer's diseases, Amyotrophic Lateral Sclerosis, Down's Syndrome, epilepsy, atrophy, HIV SCION PHARMACEUTICALS, INC, A DELAWARE CORPORATION 2007-11-15 US disclosed
US-6787569-B1 INHIBITORS OF NEUROTRANSMITTER (E.G., GLUTAMATE) RELEASE FROM ISCHEMIC NEURONAL CELLS; N,N-DISUBSTITUTED GUANIDINES; NEUROLOGICAL CONDITIONS SUCH AS EPILEPSY, NEURODEGENERATIVE CONDITIONS AND/OR NERVE CELL DEATH FROM STROKE OR HEART ATTACK CAMBRIDGE NEUROSCIENCE, INC. 2004-09-07 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
US-6174924-B1 Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. 2001-01-16 US disclosed
US-6143791-A NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-07 US 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-1995020950-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-08-10 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 (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-20070265348-A1 N-(4-sec-butylphenyl)-N-benzylguanidine; modulate, particularly inhibit, the release of neurotransmitter such as glutamate; neurodegenerative disease: Parkinson's, Huntington's, Alzheimer's diseases, Amyotrophic Lateral Sclerosis, Down's Syndrome, epilepsy, atrophy, HIV GAP43, NLN, HTT ADRA2A 808/4885TRPV1 3174/4885SIGMAR1 3253/4885
US-20030027801-A1 Methods of treatment of eye trauma and disorders RBP4, ALDH1A2, RBP1 ADRA2A 1716/4885TRPV1 3082/4885SIGMAR1 3775/4885

“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.