SCHEMBL4977873

SCHEMBL4977873

CCC(C)c1ccc(NCc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
GRIA4 P48058 2/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 2/20 0.41
ALOX12 P18054 2/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL4981847 0.98 CA1 (0.52) CA1CA2GRIA4ALDH1A1GAA
SCHEMBL24067975 0.86 CA1 (0.57) CA1CA2ALDH1A1GAAMAPT
SCHEMBL5184746 0.83 CA1 (0.70) CA1CA2ALDH1A1GAAMAPT
SCHEMBL18092983 0.82 GRIA4 (0.53) GRIA4ALDH1A1GAAALOX15USP2
SCHEMBL548052 0.82 GRIA4 (0.53) GRIA4ALDH1A1GAAALOX15USP2
SCHEMBL11935865 0.81 GAA (0.46) ALDH1A1GAAMAPTALOX15ALOX12
SCHEMBL1042166 0.80 GRIA4 (0.46) GRIA4TSHR
SCHEMBL13565893 0.79 CA1 (0.42) CA1CA2ALDH1A1GAAMAPT
SCHEMBL19155626 0.78 EGFR (0.46) ALDH1A1GAAALOX15ALOX12USP2
SCHEMBL21414931 0.77 MAPT (0.62) CA1CA2ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2004072255-A2 METHODS OF TREATING DISEASE SCION PHARMACEUTICALS, INC. (US) 2004-08-26 WO disclosed
US-6288123-B1 CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCES, INC. 2001-09-11 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
EP-0751767-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP disclosed
EP-0751767-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-01-08 EP 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 (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 CA1 4445/4885CA2 4322/4885GRIA4 22/4885

“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.