SCHEMBL10068041

SCHEMBL10068041

Cc1ccccc1[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.46
USP30 Q70CQ3 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
NR1H2 P55055 1/20 0.40
NAMPT P43490 1/20 0.39
LIPE Q05469 2/20 0.39
RORC P51449 1/20 0.39
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL707043 1.00 GPR119 (0.46) GPR119USP30JAK2JAK1NR1H2
SCHEMBL10038438 1.00 GPR119 (0.46) GPR119USP30JAK2JAK1NR1H2
SCHEMBL13461072 0.86 GPR119 (0.50) GPR119USP30JAK2JAK1NR1H2
SCHEMBL13433734 0.86 GPR119 (0.50) GPR119USP30JAK2JAK1NR1H2
SCHEMBL3177397 0.86 GPR119 (0.50) GPR119USP30JAK2JAK1NR1H2
SCHEMBL705741 0.84 HDAC4 (0.39)
SCHEMBL5522852 0.80 HDAC1 (0.48) GPR119USP30NR1H2LIPERORC
SCHEMBL5520664 0.80 HDAC1 (0.48) GPR119USP30NR1H2LIPERORC
SCHEMBL22398001 0.79 NR1H2 (0.53) GPR119USP30NR1H2
SCHEMBL2114177 0.79 NR1H2 (0.53) GPR119USP30NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144503-B9 4-(octahydro-2H-isoindol-2-yl)-1,3-oxazol-4-one as TACHYKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-09-04 EP disclosed
EP-2144503-B1 4-(octahydro-2H-isoindol-2-yl)-1,3-oxazol-4-one as TACHYKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-03-27 EP disclosed
US-8124633-B2 Hydroxymethyl ether hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-20100197724-A1 6.5 -PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS BAO JIANMING 2010-08-05 US disclosed
US-20100105747-A1 HYDROXYMETHYL ETHER HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2010-04-29 US disclosed
WO-2008124143-A1 HYDROXYMETHYL ETHER HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-10-16 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 (2 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-20100105747-A1 HYDROXYMETHYL ETHER HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS TACR1, HTR1D, TACR2 GPR119 762/4885USP30 4119/4885JAK2 1677/4885
US-20100197724-A1 6.5 -PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS TACR1, TACR2, HTR1D GPR119 910/4885USP30 3946/4885JAK2 1228/4885

“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.