SCHEMBL17254207

SCHEMBL17254207

C[C@@](N)(c1ccccc1F)C(F)CO

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ KCNN4 O15554 5/20 0.37
▸ KCNE1 P15382 1/20 0.33
▸ KCNQ1 P51787 1/20 0.33
▸ KIF11 P52732 2/20 0.32
▸ ACSS2 Q9NR19 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CTNNB1 P35222 1/20 0.30
▸ WNT3A P56704 1/20 0.30
▸ ESR2 Q92731 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
SCHEMBL12273931 1.00 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC6KCNN4
SCHEMBL12980340 1.00 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC6KCNN4
SCHEMBL15705128 0.87 KCNN4 (0.35) HDAC3HDAC1HDAC2HDAC6KCNN4
SCHEMBL17118662 0.82 KCNN4 (0.34) HDAC3HDAC1HDAC2HDAC6KCNN4
SCHEMBL17749269 0.79 KCNN4 (0.41) HDAC3HDAC1HDAC2HDAC6KCNN4
SCHEMBL12980676 0.78 KCNN4 (0.36) KCNN4KCNE1KCNQ1KIF11
SCHEMBL12980706 0.78 KCNN4 (0.36) KCNN4KCNE1KCNQ1KIF11
SCHEMBL13835815 0.78 ADRB2 (0.33) —
SCHEMBL15602054 0.76 KCNN4 (0.42) HDAC3HDAC1HDAC2HDAC6KCNN4
SCHEMBL15536032 0.76 KCNN4 (0.42) HDAC3HDAC1HDAC2HDAC6KCNN4

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-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors HOFFMANN-LA ROCHE INC. 2015-11-12 — — 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-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors BACE2, BACE1, PSEN1 HDAC3 2630/4885HDAC1 597/4885HDAC2 234/4885

“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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