SCHEMBL6154074

SCHEMBL6154074

NN=C(NC1CCCCC1)NC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.60
EPHX1 P07099 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.48
EPHX2 P34913 1/20 0.48
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL2740862 0.75 SIGMAR1 (1.00) SIGMAR1EPHX1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL250080 0.73 SIGMAR1 (0.91) SIGMAR1EPHX1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL13703813 0.73
SCHEMBL22114175 0.73 SIGMAR1 (0.42) SIGMAR1EPHX1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL2740891 0.72 SIGMAR1 (0.55) SIGMAR1EPHX1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL6154078 0.72 SIGMAR1 (0.70) SIGMAR1EPHX1SMN1; SMN2ALDH1A1CYP3A4
Iodide SCHEMBL1544948 0.71 SIGMAR1 (0.40) SIGMAR1SMN1; SMN2
Iodide SCHEMBL1544949 0.71 SIGMAR1 (0.40) SIGMAR1SMN1; SMN2
SCHEMBL14373107 0.70 SIGMAR1 (0.59) SIGMAR1EPHX1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL6155365 0.70 SIGMAR1 (0.76) SIGMAR1EPHX1SMN1; SMN2ALDH1A1CYP3A4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6071969-A ADMINISTERING AMINOGUANIDINE DERIVATIVE TO MAMMAL FOR TREATING OR PREVENTING DISEASE OF NERVOUS SYSTEM IN WHICH PATHOPHYSIOLOGY OF DISORDER INVOLVES EXCESSIVE RELEASE OF OF NEUROTRANSMITTER FROM NEURONAL CELLS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-06-06 US claimed
US-5681861-A BLOCKING VOLTAGE SENSITIVE SODIUM AND CALCIUM CHANNELS IN MAMMALIAN NERVE CELLS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-10-28 US claimed
EP-0940139-B1 Substituted guanidines and derivatives thereof as modulators of neurotransmitter release and novel methodology for identifying neurotransmitter release blockers SCION PHARMACEUTICALS INC (US) 2005-02-02 EP 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-6071969-A ADMINISTERING AMINOGUANIDINE DERIVATIVE TO MAMMAL FOR TREATING OR PREVENTING DISEASE OF NERVOUS SYSTEM IN WHICH PATHOPHYSIOLOGY OF DISORDER INVOLVES EXCESSIVE RELEASE OF OF NEUROTRANSMITTER FROM NEURONAL CELLS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-06-06 US disclosed
EP-0584088-B1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE RES (US) 1999-10-27 EP disclosed
EP-0940139-A2 Substituted guanidines and derivatives thereof as modulators of neurotransmitter release and novel methodology for identifying neurotransmitter release blockers CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1999-09-08 EP disclosed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
US-5670519-A NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-09-23 US disclosed
US-5652269-A MODULATION OF NEUROTRANSMITTER RELEASE, NEUROPROTECTIVE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-07-29 US disclosed
US-5637623-A CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-06-10 US disclosed
US-5622968-A ADMINISTERING TO BLOCK VOLTAGE SENSITIVE CALCIUM CHANNELS OF MAMMALIAN NEURONAL CELLS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-04-22 US disclosed
US-5614630-A NEUROTRANSMITTER RELEASE MODULATOR CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-03-25 US disclosed
US-5403861-A Treating or preventing nerve cell death CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-04-04 US disclosed
EP-0584088-A4 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS. CAMBRIDGE NEUROSCIENCE RES (US) 1995-01-18 EP disclosed
EP-0584088-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1994-03-02 EP disclosed
WO-1992014697-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1992-09-03 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-20030027801-A1 Methods of treatment of eye trauma and disorders RBP4, ALDH1A2, RBP1 SIGMAR1 3775/4885EPHX1 1847/4885SMN1; SMN2 1156/4885

“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.