SCHEMBL20200051

SCHEMBL20200051

N[C@H]1C[C@@H](n2cc(CO)cn2)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 1/20 0.37
▸ ACHE P22303 1/20 0.33
▸ MPO P05164 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRR1 P24046 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ SMYD3 Q9H7B4 1/20 0.30
▸ MAP3K7 O43318 1/20 0.30
▸ TAB1 Q15750 1/20 0.30
▸ PAK1 Q13153 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
SCHEMBL19239552 1.00 OGA (0.37) OGAACHEMPOGABRA1GABRR1
Hydrochloric Acid SCHEMBL17374363 0.98 OGA (0.37) OGAACHEMPOGABRA1GABRR1
Hydrochloric Acid SCHEMBL17374365 0.98 OGA (0.37) OGAACHEMPOGABRA1GABRR1
SCHEMBL18581843 0.82 OGA (0.45) OGAACHEMPOGABRA1GABRR1
SCHEMBL19245620 0.79 OGA (0.35) OGAACHESMYD3PAK1
SCHEMBL17381653 0.79 OGA (0.35) OGAACHESMYD3PAK1
SCHEMBL3765462 0.77 ACHE (0.50) OGAACHEMPOPAK1
SCHEMBL26928851 0.77 OGA (0.40) OGAACHEMPOMAP3K7TAB1
Hydrochloric Acid SCHEMBL21640168 0.76 KHK (0.37) OGAACHEMPOPAK1
SCHEMBL17500142 0.75 SMYD3 (0.36) OGAACHESMYD3PAK1

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-20180147187-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2018-05-31 — — 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-20180147187-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, ABCC2, ABCB4 OGA 3084/4885ACHE 3811/4885MPO 2359/4885

“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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