SCHEMBL13617538

SCHEMBL13617538

Brc1cccc2c1Oc1ccccc1/C2=C1\C[C@H]2CC[C@@H](C1)N2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL3380020 1.00 SETD7 (0.35) SETD7SLC6A2SLC6A4SLC6A3
SCHEMBL4669628 0.84 SETD7 (0.46) SETD7SLC6A2SLC6A4SLC6A3
SCHEMBL3381668 0.84 SETD7 (0.35) SETD7
SCHEMBL3383083 0.84 SETD7 (0.35) SETD7
SCHEMBL3384341 0.80 CHRNA7 (0.36) SETD7
SCHEMBL3380168 0.80 SETD7 (0.30) SETD7
SCHEMBL3384754 0.80 SETD7 (0.33) SETD7
SCHEMBL3382259 0.79 TRPA1 (0.40)
SCHEMBL4521744 0.79 AHR (0.41) SETD7SLC6A2SLC6A4SLC6A3
SCHEMBL3380170 0.77 MAPT (0.32) SETD7

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-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 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-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 SETD7 4281/4885SLC6A2 760/4885SLC6A4 850/4885

“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.