SCHEMBL13638169

SCHEMBL13638169

Cc1ccc(O)c(C(=O)NCCCCN2CCc3cc(O)c(O)cc3C2)c1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.71
TMEM97 Q5BJF2 3/20 0.71
DRD3 P35462 13/20 0.60
DRD2 P14416 4/20 0.60
DRD4 P21917 10/20 0.58
DRD1 P21728 5/20 0.56

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
SCHEMBL1887377 0.91 SIGMAR1 (0.87) SIGMAR1TMEM97DRD3DRD2DRD4
SCHEMBL8285661 0.83 SIGMAR1 (1.00) SIGMAR1TMEM97DRD3DRD2DRD4
SCHEMBL1887340 0.83 SIGMAR1 (0.86) SIGMAR1TMEM97DRD3DRD2DRD4
SCHEMBL14157774 0.82 SIGMAR1 (0.89) SIGMAR1TMEM97DRD3DRD2DRD4
SCHEMBL12884244 0.81 SIGMAR1 (0.91) SIGMAR1TMEM97DRD3DRD2DRD4
SCHEMBL13631982 0.81 SIGMAR1 (0.91) SIGMAR1TMEM97DRD3DRD2DRD4
SCHEMBL1887858 0.80 DRD3 (0.74) SIGMAR1TMEM97DRD3DRD2DRD4
SCHEMBL1884293 0.80 SIGMAR1 (0.75) SIGMAR1TMEM97DRD3DRD2DRD4
SCHEMBL1901622 0.77 SIGMAR1 (0.89) SIGMAR1TMEM97DRD3DRD2
SCHEMBL10315943 0.77 SIGMAR1 (0.77) SIGMAR1TMEM97DRD3DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2/4885TMEM97 1/4885DRD3 1949/4885

“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.