SCHEMBL8285657

SCHEMBL8285657

COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(Br)ccc1OC)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 1.00
DRD3 P35462 4/20 0.81
DRD2 P14416 2/20 0.81
DRD4 P21917 3/20 0.76
TMEM97 Q5BJF2 3/20 0.70
DRD1 P21728 1/20 0.60

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
SCHEMBL12896039 0.93 SIGMAR1 (0.87) SIGMAR1DRD3DRD2DRD4TMEM97
SCHEMBL12673255 0.92 SIGMAR1 (0.85) SIGMAR1DRD3DRD2DRD4TMEM97
SCHEMBL8284828 0.91 SIGMAR1 (1.00) SIGMAR1DRD3DRD2DRD4TMEM97
SCHEMBL8285666 0.89 SIGMAR1 (1.00) SIGMAR1DRD3DRD2DRD4TMEM97
SCHEMBL13638098 0.89 SIGMAR1 (0.81) SIGMAR1DRD3DRD2DRD4TMEM97
SCHEMBL13631985 0.88 SIGMAR1 (0.81) SIGMAR1DRD3DRD2DRD4TMEM97
SCHEMBL12673260 0.88 SIGMAR1 (0.83) SIGMAR1DRD3DRD2DRD4TMEM97
SCHEMBL8285662 0.87 SIGMAR1 (1.00) SIGMAR1DRD3DRD2DRD4TMEM97
SCHEMBL1883345 0.85 SIGMAR1 (0.74) SIGMAR1DRD3DRD2DRD4TMEM97
SCHEMBL1884293 0.85 SIGMAR1 (0.75) SIGMAR1DRD3DRD2DRD4TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893266-B2 Detection of cancer cells in vitro using sigma-2 receptor ligands as radiotracers WASHINGTON UNIVERSITY (US) 2011-02-22 US disclosed
US-7893266-B2 Detection of cancer cells in vitro using sigma-2 receptor ligands as radiotracers WASHINGTON UNIVERSITY (US) 2011-02-22 US disclosed
US-20100028936-A1 DETECTION OF CANCER CELLS IN VITRO USING SIGMA-2 RECEPTOR LIGANDS AS RADIOTRACERS WASHINGTON UNIVERSITY (US) 2010-02-04 US disclosed
US-20100028936-A1 DETECTION OF CANCER CELLS IN VITRO USING SIGMA-2 RECEPTOR LIGANDS AS RADIOTRACERS WASHINGTON UNIVERSITY (US) 2010-02-04 US disclosed
US-7612206-B2 Sigma-2 receptor radiotracers for imaging the proliferative status of solid tumors WASHINGTON UNIVERSITY (US) 2009-11-03 US disclosed
US-7612206-B2 Sigma-2 receptor radiotracers for imaging the proliferative status of solid tumors WASHINGTON UNIVERSITY (US) 2009-11-03 US disclosed
US-20090041663-A1 SIGMA-2 RECEPTOR RADIOTRACERS FOR IMAGING THE PROLIFERATIVE STATUS OF SOLID TUMORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-02-12 US disclosed
US-20090041663-A1 SIGMA-2 RECEPTOR RADIOTRACERS FOR IMAGING THE PROLIFERATIVE STATUS OF SOLID TUMORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-02-12 US disclosed
US-7390902-B2 Sigma-2 receptor radiotracers for imaging the proliferative status of solid tumors WASHINGTON UNIVERSITY (US) 2008-06-24 US disclosed
US-7390902-B2 Sigma-2 receptor radiotracers for imaging the proliferative status of solid tumors WASHINGTON UNIVERSITY (US) 2008-06-24 US disclosed
WO-2005048810-A2 SIGMA-2 RECEPTOR RADIOTRACERS FOR IMAGING THE PROLIFERATIVE STATUS OF SOLID TUMORS WASHINGTON UNIVERSITY IN ST. LOUIS (US) 2005-06-02 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-20090041663-A1 SIGMA-2 RECEPTOR RADIOTRACERS FOR IMAGING THE PROLIFERATIVE STATUS OF SOLID TUMORS TMEM97, SIGMAR1, SSTR2 SIGMAR1 2/4885DRD3 1949/4885DRD2 575/4885

“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.