SCHEMBL13433734

SCHEMBL13433734

CC(C)(C)OC(=O)N1CC2[C@@H](CC[C@H](O)[C@H]2c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.50
RORC P51449 4/20 0.47
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
USP30 Q70CQ3 4/20 0.42
NR1H2 P55055 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
NAMPT P43490 1/20 0.41
LIPE Q05469 1/20 0.40
TACR1 P25103 2/20 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
SCHEMBL3177397 1.00 GPR119 (0.50) GPR119RORCJAK2JAK1USP30
SCHEMBL13461072 1.00 GPR119 (0.50) GPR119RORCJAK2JAK1USP30
SCHEMBL5520664 0.88 HDAC1 (0.48) GPR119RORCUSP30NR1H2LIPE
SCHEMBL5522852 0.88 HDAC1 (0.48) GPR119RORCUSP30NR1H2LIPE
SCHEMBL10068041 0.86 GPR119 (0.46) GPR119RORCJAK2JAK1USP30
SCHEMBL707043 0.86 GPR119 (0.46) GPR119RORCJAK2JAK1USP30
SCHEMBL10038438 0.86 GPR119 (0.46) GPR119RORCJAK2JAK1USP30
SCHEMBL2800431 0.82 RAB9A (0.37)
SCHEMBL5025626 0.82 RAB9A (0.37)
SCHEMBL20031547 0.80 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683068-B2 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-03-23 US disclosed
US-7645790-B2 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-01-12 US disclosed
US-20090054462-A1 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. 2009-02-26 US disclosed
US-20080280966-A1 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.) 2008-11-13 US disclosed
US-7345083-B2 Hydroisoindoline tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-03-18 US disclosed
US-20070161695-A1 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.) 2007-07-12 US disclosed
US-7217731-B2 Hydroisoindoline tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-05-15 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 (3 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-20090054462-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 GPR119 440/4885RORC 2600/4885JAK2 902/4885
US-20070161695-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 GPR119 440/4885RORC 2600/4885JAK2 902/4885
US-20080280966-A1 Hydroisoindoline Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 GPR119 364/4885RORC 2807/4885JAK2 1011/4885

“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.