SCHEMBL678775

SCHEMBL678775

N=C(Nc1ccc(I)cc1)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
EPHX2 P34913 14/20 0.48
AR P10275 1/20 0.41
KCNH2 Q12809 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HSD11B1 P28845 2/20 0.40
EPHX1 P07099 1/20 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
SCHEMBL4110715 0.81 EPHX2 (0.68) CXCR3TP53CYP1A2CYP3A4CYP2D6
SCHEMBL4981277 0.77 EPHX2 (0.47) CYP1A2CYP2C19EPHX2
SCHEMBL6158181 0.76 SIGMAR1 (0.53) EPHX2SIGMAR1HSD11B1
SCHEMBL23921328 0.75 CXCR3 (0.39) CXCR3TP53CYP1A2CYP3A4CYP2D6
SCHEMBL6154505 0.73 EPHX2 (0.58) EPHX2SIGMAR1HSD11B1EPHX1
SCHEMBL8996650 0.72 EPHX2 (0.68) EPHX2ARKCNH2SIGMAR1
SCHEMBL9315978 0.71 EPHX1 (0.67) CYP1A2CYP3A4CYP2C19EPHX2EPHX1
SCHEMBL6154998 0.70 SIGMAR1 (0.53) EPHX2SIGMAR1HSD11B1
SCHEMBL6156772 0.69 EPHX2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19EPHX2
SCHEMBL1804522 0.68 CXCR3 (0.50) CXCR3TP53CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125762-A1 METHODS OF IDENTIFYING AND TREATING TUMORS WITH SIGMA1 INHIBITORS UNIV DREXEL (US) 2026-05-07 US claimed
US-20240254561-A1 METHODS OF IDENTIFYING AND TREATING TUMORS WITH SIGMA1 INHIBITORS THOMAS JEFFERSON UNIVERSITY 2024-08-01 US claimed
US-20200087730-A1 METHODS OF IDENTIFYING AND TREATING TUMORS WITH SIGMA1 INHIBITORS UNIV DREXEL (US) 2020-03-19 US claimed
WO-2018112122-A1 METHODS OF IDENTIFYING AND TREATING TUMORS WITH SIGMA1 INHIBITORS DREXEL UNIVERSITY (US) 2018-06-21 WO claimed
WO-2010128309-A1 COMBINATION THERAPY COMPRISING A TAXANE AND A SIGMA RECEPTOR LIGAND SAUCH AS RIMCAZOLE MODERN BIOSCIENCES, PLC. (GB) 2010-11-11 WO claimed
WO-2005079767-A2 MEANS FOR MODULATION OF THE EFFECTS OF OPIOID-LIKE SUBSTANCES Universitätsklinikum Münster (DE) 2005-09-01 WO claimed
US-20040019060-A1 Sigma receptor ligands and their medical uses SPRUCE BARBARA ANN (GB) 2004-01-29 US claimed
JP-2003528916-A 2003-09-30 JP claimed
US-20030027801-A1 Methods of treatment of eye trauma and disorders WYETH 2003-02-06 US claimed
EP-1267875-A1 SIGMA RECEPTOR LIGANDS AND THEIR MEDICAL USES Spruce, Barbara (GB) 2003-01-02 EP 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
WO-2001074359-A1 SIGMA RECEPTOR LIGANDS AND THEIR MEDICAL USES SPRUCE BARBARA (GB) 2001-10-11 WO claimed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO claimed
US-20260125762-A1 METHODS OF IDENTIFYING AND TREATING TUMORS WITH SIGMA1 INHIBITORS UNIV DREXEL (US) 2026-05-07 US disclosed
US-12582619-B2 Compounds, compositions, and methods for treating or ameliorating, or preventing viral infections THOMAS JEFFERSON UNIVERSITY (US) 2026-03-24 US disclosed
WO-2025031979-A1 USE OF RIMCAZOLE TO TREAT CANCER KYREXA LTD (GB) 2025-02-13 WO 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
EP-0532642-A4 1994-04-27 EP disclosed
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 disclosed
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 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 (6 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-20040019060-A1 Sigma receptor ligands and their medical uses TMEM97, SIGMAR1, GPR119 CXCR3 212/4885TP53 3786/4885CYP1A2 451/4885
US-20030027801-A1 Methods of treatment of eye trauma and disorders RBP4, ALDH1A2, RBP1 CXCR3 2261/4885TP53 4568/4885CYP1A2 4444/4885
US-20200087730-A1 METHODS OF IDENTIFYING AND TREATING TUMORS WITH SIGMA1 INHIBITORS SIGMAR1, TMEM97, OPRK1 CXCR3 2293/4885TP53 1713/4885CYP1A2 1297/4885
US-20240254561-A1 METHODS OF IDENTIFYING AND TREATING TUMORS WITH SIGMA1 INHIBITORS SIGMAR1, TMEM97, OPRK1 CXCR3 2293/4885TP53 1713/4885CYP1A2 1297/4885
US-12582619-B2 Compounds, compositions, and methods for treating or ameliorating, or preventing viral infections TMEM97, EIF2AK2, VCP CXCR3 3320/4885TP53 2847/4885CYP1A2 2548/4885
US-20260125762-A1 METHODS OF IDENTIFYING AND TREATING TUMORS WITH SIGMA1 INHIBITORS IGF2BP3, RBM3, MORF4L1 CXCR3 2713/4885TP53 1062/4885CYP1A2 3925/4885

“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.