SCHEMBL6724437

SCHEMBL6724437

CC(C)c1ccccc1NC(=N)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.46
FAAH O00519 2/20 0.41
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL6155754 0.82 SIGMAR1 (0.55) EPHX2FAAHTSHRKDM4EALDH1A1
SCHEMBL6158255 0.79 SIGMAR1 (0.53) EPHX2FAAHTSHRKDM4EALDH1A1
Guanidine SCHEMBL9516168 0.78 SIGMAR1 (0.56) EPHX2FAAHGRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL8874234 0.78 SIGMAR1 (0.54) EPHX2FAAHTSHRKDM4EALDH1A1
SCHEMBL6154919 0.78 CYP2C19 (0.48) EPHX2FAAHKDM4EALDH1A1HPGD
SCHEMBL6721277 0.77 GRIN2D (0.53) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30479702 0.77 GRIN2D (0.53) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6717113 0.76 EPHX2 (0.46) EPHX2FAAHKDM4ESIGMAR1MAPK1
SCHEMBL6724207 0.75 EPHX2 (0.67) EPHX2FAAHMAPK1
SCHEMBL6724175 0.74 SIGMAR1 (0.58) EPHX2FAAHALDH1A1NPSR1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed
US-5604228-A ADMINISTERING AS ANTIPSYCHOTIC OR ANTIHALLUCINOGENIC AGENTS 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 (US) 1997-02-18 US disclosed
US-5574070-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, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-11-12 US disclosed
US-5502255-A HYPOTENSIVE AGENTS, PSYCHOLOGICAL DISORDERS AND AS ANTIDEPRESSANTS 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) 1996-03-26 US disclosed
US-5478863-A Hypotensive agents, drugs for treating psychological disorders STATE OF OREGON, OREGON HEALTH SCIENCES UNIVERSITY OF OREGON (US) 1995-12-26 US disclosed
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 disclosed
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 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 EPHX2 3426/4885FAAH 199/4885TSHR 1357/4885

“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.