SCHEMBL20803753

SCHEMBL20803753

CN(CC(C)(C)S)C1CCC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL9283514 0.80 HRH4 (0.36) HRH4HRH3KDM4E
SCHEMBL16330539 0.78 NOS3 (0.39) —
SCHEMBL9283576 0.78 HRH3 (0.39) HRH4HRH3KDM4E
SCHEMBL9283512 0.76 HRH3 (0.42) HRH4HRH3KDM4E
SCHEMBL20096008 0.73 HRH4 (0.40) HRH4HRH3KDM4E
SCHEMBL15387169 0.73 HRH3 (0.40) HRH4HRH3KDM4E
SCHEMBL26455568 0.72 PIK3CD (0.32) —
SCHEMBL8276870 0.72 PIK3CD (0.32) —
SCHEMBL24927586 0.71 HRH3 (0.39) HRH4HRH3KDM4E
SCHEMBL24926212 0.70 — —

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-20190077803-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-03-14 — — 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-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A HRH4 3820/4885HRH3 4389/4885KDM4E 2509/4885

“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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