SCHEMBL20854587

SCHEMBL20854587

CC1C(N2CCCN(C)C2=O)CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 3/20 0.48
▸ ACE2 Q9BYF1 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL16786082 1.00 PREP (0.48) PREPACE2NPSR1
SCHEMBL16786076 0.95 PREP (0.49) PREPACE2NPSR1
SCHEMBL16786078 0.82 PREP (0.49) PREPACE2NPSR1
SCHEMBL20986848 0.80 SMN1; SMN2 (0.49) NPSR1
SCHEMBL5866405 0.79 SMN1; SMN2 (0.57) NPSR1
SCHEMBL21193695 0.78 PREP (0.55) PREPACE2NPSR1
SCHEMBL3011829 0.78 PREP (0.56) PREPACE2NPSR1
SCHEMBL10310512 0.78 PREP (0.56) PREPACE2NPSR1
SCHEMBL16764330 0.78 JAK3 (0.33) —
SCHEMBL21193181 0.78 PREP (0.54) PREPACE2NPSR1

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-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2020-03-12 — — US disclosed
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2019-04-04 — — 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 (2 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-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK PREP 4236/4885ACE2 4141/4885NPSR1 4459/4885
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK PREP 4053/4885ACE2 3694/4885NPSR1 4553/4885

“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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