SCHEMBL4983901

SCHEMBL4983901

CCCCOc1ccc(NC(=N)Nc2ccc(C(C)(C)C)cc2)cc1OCCCC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
HSD17B10 Q99714 1/20 0.48
C5AR1 P21730 1/20 0.46
FAAH O00519 1/20 0.45
TRPV1 Q8NER1 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
ESR1 P03372 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.38
NR1I2 O75469 1/20 0.38
C5 P01031 1/20 0.38
LMNA P02545 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
S1PR1 P21453 2/20 0.38

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
Oxalic Acid SCHEMBL4981838 0.94 MAPT (0.49) MAPTHSD17B10C5AR1FAAHTRPV1
SCHEMBL4985669 0.82 FAAH (0.58) MAPTHSD17B10C5AR1FAAHMEN1
Bromide SCHEMBL5457346 0.81 FAAH (0.57) MAPTHSD17B10C5AR1FAAHMEN1
SCHEMBL4983906 0.80 C5AR1 (0.54) MAPTHSD17B10C5AR1FAAH
SCHEMBL10223630 0.77 KDM4E (0.50) MAPTGAAESR1SMN1; SMN2NR1I2
SCHEMBL4981846 0.77 MAPT (0.46) MAPTHSD17B10C5AR1FAAHTRPV1
SCHEMBL4983445 0.75 NPC1 (0.53) MAPTTRPV1MEN1KMT2AHTT
SCHEMBL27548244 0.74 KDM4E (0.47) MAPTHSD17B10MEN1KMT2AGAA
SCHEMBL4983215 0.74 PTGES (0.56) FAAHGAASMN1; SMN2LMNAS1PR1
Bromide SCHEMBL5458791 0.73 PTGES (0.55) FAAHGAASMN1; SMN2LMNAS1PR1

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 15 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-6288123-B1 CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCES, INC. 2001-09-11 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
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
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 MAPT 29/4885HSD17B10 2909/4885C5AR1 4531/4885
US-20030027801-A1 Methods of treatment of eye trauma and disorders RBP4, ALDH1A2, RBP1 MAPT 2121/4885HSD17B10 927/4885C5AR1 943/4885

“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.