SCHEMBL20465845

SCHEMBL20465845

COc1ccc(C2CCN(CC[C@@H]3CC(C)(C)C(=O)O3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 15/20 0.76
DRD2 P14416 3/20 0.55
TMEM97 Q5BJF2 1/20 0.48
DRD4 P21917 2/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL20465846 1.00 HTR7 (0.76) HTR7DRD2TMEM97DRD4DRD3
SCHEMBL22219753 0.87 HTR7 (0.73) HTR7DRD2TMEM97
SCHEMBL22219778 0.87 HTR7 (0.73) HTR7DRD2TMEM97
SCHEMBL17592848 0.86 HTR7 (1.00) HTR7DRD2
SCHEMBL19458796 0.86 HTR7 (1.00) HTR7DRD2
SCHEMBL17592912 0.86 HTR7 (1.00) HTR7DRD2
SCHEMBL17592517 0.83 HTR7 (1.00) HTR7TMEM97
SCHEMBL19458801 0.83 HTR7 (1.00) HTR7TMEM97
SCHEMBL17593029 0.83 HTR7 (1.00) HTR7TMEM97
Trifluoroacetic Acid SCHEMBL18227620 0.79 HTR7 (0.84) HTR7DRD2

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-20180221365-A1 NOVEL SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE Temple University--of the Commonwealth System of Higher Education 2018-08-09 US disclosed
US-20180221365-A1 NOVEL SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE Temple University--of the Commonwealth System of Higher Education 2018-08-09 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-20180221365-A1 NOVEL SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE SIGMAR1, TMEM97, OPRL1 HTR7 83/4885DRD2 209/4885TMEM97 2/4885

“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.