SCHEMBL4987155

SCHEMBL4987155

CCCCOc1ccc(N(Cc2ccc(C(C)(C)C)cc2)C(=N)NN2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.41
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MITF O75030 1/20 0.38
GAA P10253 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL4986105 0.84 OPRM1 (0.39) OPRM1NR1H4
SCHEMBL4986085 0.83 RAB9A (0.46) SIGMAR1MEN1KMT2AHRH3ALDH1A1
SCHEMBL4987164 0.82 KDM4E (0.41) OPRM1TMEM97SIGMAR1KDM4EMEN1
SCHEMBL4984025 0.81 KDM4E (0.40) OPRM1KDM4E
SCHEMBL4982299 0.78 RAB9A (0.43) MEN1KMT2AALDH1A1GAANR1H4
SCHEMBL4984238 0.78 SMN1; SMN2 (0.51) KDM4EMEN1KMT2AALDH1A1MITF
Hydrochloric Acid SCHEMBL4982357 0.78 RAB9A (0.43) MEN1KMT2AALDH1A1GAANR1H4
Hydrochloric Acid SCHEMBL4981827 0.78 SMN1; SMN2 (0.50) KDM4EMEN1KMT2AALDH1A1MITF
SCHEMBL4983867 0.77 POLB (0.36) KDM4EMEN1KMT2AHRH3ALDH1A1
SCHEMBL4982934 0.75 ALDH1A1 (0.47) KDM4EMEN1KMT2AALDH1A1L3MBTL1

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 7 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
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
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 OPRM1 1060/4885TMEM97 2452/4885SIGMAR1 3253/4885

“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.