SCHEMBL3090372

SCHEMBL3090372

CC(C)(C)OC(=O)Nc1ccc2c(c1)C[C@H](CI)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 6/20 0.45
MMP3 P08254 3/20 0.45
NR1I3 Q14994 5/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
CYP17A1 P05093 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DRD2 P14416 1/20 0.40
NAMPT P43490 2/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL3090378 1.00 MMP8 (0.45) MMP8MMP3NR1I3CA12CA1
SCHEMBL3093406 1.00 MMP8 (0.45) MMP8MMP3NR1I3CA12CA1
SCHEMBL3102179 0.88 NR1I3 (0.46) MMP8MMP3NR1I3CA12CA1
SCHEMBL3098889 0.88 NR1I3 (0.46) MMP8MMP3NR1I3CA12CA1
SCHEMBL27975122 0.83 MMP8 (0.47) MMP8MMP3NR1I3CA12CA1
SCHEMBL20809851 0.82 CYP17A1 (0.43) MMP8MMP3NR1I3CA12CA1
SCHEMBL7906077 0.82 CA12 (0.45) MMP8MMP3NR1I3CA12CA1
SCHEMBL3104630 0.81 MMP8 (0.48) MMP8MMP3NR1I3CA12CA1
SCHEMBL20809514 0.80 MCHR1 (0.45) MMP8MMP3NR1I3CYP17A1DRD2
SCHEMBL19996133 0.79 NPC1 (0.53) NR1I3CA12CA1CA9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803816-B2 MCH receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
EP-1934199-B1 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-04-22 EP disclosed
EP-1934199-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
WO-2007039462-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070078165-A1 MCH receptor antagonists BERTHEL STEVEN J 2007-04-05 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-20070078165-A1 MCH receptor antagonists MCHR1, MCHR2, MC5R MMP8 4816/4885MMP3 4554/4885NR1I3 274/4885

“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.