SCHEMBL3319901

SCHEMBL3319901

NC(=NC1CCCCC1)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 1.00
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
EPHX1 P07099 5/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
EPHX2 P34913 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 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
SCHEMBL3319896 1.00 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL26456614 1.00 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3915786 0.98 SIGMAR1 (0.96) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3060802 0.79 SIGMAR1 (0.65) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL250080 0.77 SIGMAR1 (0.91) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL28300346 0.76 SIGMAR1 (0.61) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL11301865 0.76 SIGMAR1 (0.61) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL11297848 0.76 SIGMAR1 (0.61) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL6154078 0.75 SIGMAR1 (0.70) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1
SCHEMBL3074844 0.74 SIGMAR1 (0.59) SIGMAR1EPHX1ALDH1A1CYP3A4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050042758-A1 Leak detection method using microencapsulated dye precursor HONEYWELL CORPORATION 2005-02-24 US claimed
US-20030027801-A1 Methods of treatment of eye trauma and disorders WYETH 2003-02-06 US claimed
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 claimed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP claimed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO claimed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO claimed
US-5385946-A Method for treating hypertension with disubstituted granidine compounds STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1995-01-31 US claimed
US-5312840-A Substituted guanidines having high binding to the sigma receptor and the use thereof STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION (US) 1994-05-17 US claimed
EP-0532642-A4 1994-04-27 EP claimed
EP-0532642-A1 SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) 1993-03-24 EP claimed
WO-1991018868-A1 SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting by and through the OREGON STATE BOARD OF HIGHER EDUCATION, acting for and onbehalf of the OREGON HEALTH SCIENCES UNIVERSITY (US) 1991-12-12 WO claimed
EP-0314690-A4 SIGMA BRAIN RECEPTOR LIGANDS AND THEIR USE. OREGON STATE (US) 1989-11-07 EP claimed
EP-0314690-A1 SIGMA BRAIN RECEPTOR LIGANDS AND THEIR USE. OREGON STATE (US) 1989-05-10 EP claimed
WO-1988000583-A1 SIGMA BRAIN RECEPTOR LIGANDS AND THEIR USE STATE OF OREGON ACTING BY AND THROUGH THE STATE BO (US) 1988-01-28 WO claimed
EP-4549514-A1 MOISTURE-CURABLE RTV SILICONE COMPOSITION OFFERING HIGH TEAR PROPAGATION RESISTANCE AND STORAGE STABILITY Sika Technology AG (CH) 2025-05-07 EP disclosed
WO-2023248723-A1 IMMOBILIZED ZINC COMPLEX HAVING GUANIDINE LIGAND, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING CYCLIC CARBONATE USING SAME 信越化学工業株式会社 2023-12-28 WO disclosed
CN-115368824-A Fast curing migration-free compositions based on organic polymers containing silane groups SIKA技术股份公司 2022-11-22 CN disclosed
US-4598035-A LEUCO AND DISAZO DYES FUJI PHOTO FILM CO., LTD. (JP) 1986-07-01 US disclosed
US-4529681-A Microcapsules containing vinyl compound, photoinitiator and color forming compound FUJI PHOTO FILM CO., LTD. (JP) 1985-07-16 US disclosed
EP-0109838-A2 Light and heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1984-05-30 EP 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 3775/4885GRIN2D 3242/4885GRIN3B 1756/4885

“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.