SCHEMBL5452234

SCHEMBL5452234

CC(C)(C)c1ccc(CN=C(N)N)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.52
SLC22A1 O15245 1/20 0.52
SLC22A3 O75751 1/20 0.52
F11 P03951 1/20 0.47
GRIN2D O15399 4/20 0.47
GRIN3B O60391 4/20 0.47
GRIN1 Q05586 4/20 0.47
GRIN2A Q12879 4/20 0.47
GRIN2B Q13224 4/20 0.47
GRIN2C Q14957 4/20 0.47
GRIN3A Q8TCU5 4/20 0.47
NOS2 P35228 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
EPHX2 P34913 1/20 0.42

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
SCHEMBL1737052 0.82 GRIN1 (0.62) F11GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17178567 0.79 GRIN2B (0.69) GRIN1GRIN2BNOS2
SCHEMBL4989774 0.79 GRIN2B (0.69) GRIN1GRIN2BNOS2
SCHEMBL16378743 0.78 GRIN2B (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4097844 0.77 GRIN2D (0.52) SLC22A2SLC22A1SLC22A3F11GRIN2D
Hydrochloric Acid SCHEMBL19520756 0.75 GRIN2D (0.55) SLC22A2SLC22A1SLC22A3F11GRIN2D
SCHEMBL30762073 0.74 ESRRG (0.49) GRIN1GRIN2BNOS2EPHX2NR1H4
SCHEMBL4094076 0.74 GRIN2D (0.54) F11GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7635935 0.74 GRIN1 (0.54) F11GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18717389 0.72 TSHR (0.46) EPHX2NR1H4CA2LMNATYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6288123-B1 CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCES, INC. 2001-09-11 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 (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-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 SLC22A2 867/4885SLC22A1 895/4885SLC22A3 792/4885

“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.