SCHEMBL3617792

SCHEMBL3617792

CC(C)(C)OC(=O)N1[C@H](CCc2ccc(F)cc2)COC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.41
BRD4 O60885 1/20 0.38
HSD11B2 P80365 1/20 0.36
RORC P51449 2/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAOB P27338 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CACNA1G O43497 1/20 0.34

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
SCHEMBL3617796 1.00 SPHK1 (0.41) SPHK1BRD4HSD11B2RORCHDAC1
SCHEMBL7686350 0.90 SPHK1 (0.41) SPHK1BRD4HSD11B2MAOB
SCHEMBL502794 0.89 SPHK1 (0.41) SPHK1BRD4HSD11B2
SCHEMBL502795 0.89 SPHK1 (0.41) SPHK1BRD4HSD11B2
SCHEMBL14338696 0.89 SPHK1 (0.42) SPHK1BRD4HSD11B2
SCHEMBL14350826 0.89 SPHK1 (0.42) SPHK1BRD4HSD11B2
SCHEMBL6924329 0.89 SPHK1 (0.42) SPHK1BRD4HSD11B2
SCHEMBL1760155 0.88 BRD4 (0.41) SPHK1BRD4HSD11B2MEN1KMT2A
SCHEMBL1760152 0.88 BRD4 (0.41) SPHK1BRD4HSD11B2MEN1KMT2A
SCHEMBL16933889 0.86 SPHK1 (0.53) SPHK1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12336991-B2 Factor XIIA inhibitors UNIVERSITY OF LEEDS (GB) 2025-06-24 US disclosed
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 US disclosed
EP-2114906-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8604061-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2013-12-10 US disclosed
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO (DE) 2012-08-02 US disclosed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 US disclosed
EP-2114906-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 US disclosed
WO-2008092785-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 WO 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 (5 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-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R SPHK1 1971/4885BRD4 1824/4885HSD11B2 919/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R SPHK1 1969/4885BRD4 2127/4885HSD11B2 801/4885
US-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 SPHK1 3278/4885BRD4 3332/4885HSD11B2 472/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R SPHK1 1971/4885BRD4 1824/4885HSD11B2 919/4885
US-12336991-B2 Factor XIIA inhibitors F11, F13B, F12 SPHK1 3278/4885BRD4 3332/4885HSD11B2 472/4885

“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.