SCHEMBL20763845

SCHEMBL20763845

CC(C)(C)C[C@@H](N)Cc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.57
▸ SLC6A2 P23975 1/20 0.57
▸ ESR1 P03372 7/20 0.50
▸ OPRK1 P41145 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.47
▸ ESR2 Q92731 6/20 0.46
▸ SLC6A4 P31645 2/20 0.41
▸ BLM P54132 1/20 0.41
▸ ABAT P80404 1/20 0.40

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
SCHEMBL20763851 1.00 TAAR1 (0.57) TAAR1SLC6A2ESR1OPRK1SLC7A5
SCHEMBL23986747 0.82 SLC6A4 (0.42) TAAR1SLC6A2SLC6A4
SCHEMBL23986762 0.82 SLC6A4 (0.43) TAAR1SLC6A2SLC6A4
SCHEMBL25833300 0.81 TAAR1 (0.49) TAAR1SLC6A2ESR1OPRK1SLC7A5
SCHEMBL24140474 0.81 SLC7A5 (0.53) TAAR1SLC6A2ESR1OPRK1SLC7A5
SCHEMBL27124358 0.81 SLC7A5 (0.53) TAAR1SLC6A2ESR1OPRK1SLC7A5
SCHEMBL2627109 0.81 TRPA1 (0.43) TAAR1SLC6A4
SCHEMBL20992605 0.80 EPHX1 (0.64) TAAR1SLC6A2SLC7A5SLC6A4
SCHEMBL15250377 0.80 EPHX1 (0.64) TAAR1SLC6A2SLC7A5SLC6A4
SCHEMBL13227777 0.80 EPHX1 (0.64) TAAR1SLC6A2SLC7A5SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055279-A1 NOVEL POLYPEPTIDES WITH IMPROVED PROTEOLYTIC STABILITY, AND METHODS OF PREPARING AND USING SAME TUFTS UNIVERSITY (US) 2019-02-21 — — 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-20190055279-A1 NOVEL POLYPEPTIDES WITH IMPROVED PROTEOLYTIC STABILITY, AND METHODS OF PREPARING AND USING SAME PTMS, ANPEP, DNPEP TAAR1 4403/4885SLC6A2 4823/4885ESR1 4393/4885

“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.

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