SCHEMBL6672883

SCHEMBL6672883

CC(C)(C)OC(=O)N1CCC2Oc3ccc(-c4ccccc4OC(F)(F)F)cc3C2C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
LIPE Q05469 1/20 0.41
USP30 Q70CQ3 5/20 0.41
GPR119 Q8TDV5 2/20 0.40
ABHD6 Q9BV23 2/20 0.40
DAGLA Q9Y4D2 1/20 0.40
SCN9A Q15858 2/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
TACR1 P25103 2/20 0.38
RORC P51449 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL6670724 0.89 USP30 (0.42) MGLLUSP30GPR119TACR1RORC
SCHEMBL6668708 0.80 CNR1 (0.41) MGLLUSP30
SCHEMBL6669632 0.78 USP30 (0.46) USP30GPR119
SCHEMBL25170898 0.74 HDAC1 (0.45) USP30GPR119TACR1HDAC1HDAC2
SCHEMBL30368816 0.74 HDAC1 (0.45) USP30GPR119TACR1HDAC1HDAC2
SCHEMBL5638001 0.73 HTR2C (0.41) LIPESCN9AKCNH2SCN5A
SCHEMBL6667476 0.72 TRPA1 (0.41) SCN9ATACR1
SCHEMBL2227245 0.71 GPR119 (0.47) USP30GPR119TACR1
SCHEMBL12518728 0.71 OPRM1 (0.53) USP30GPR119TACR1
SCHEMBL23209949 0.70 GPR119 (0.51) LIPEGPR119SCN9AKCNH2SCN5A

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-20040214815-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2004-10-28 US disclosed
US-6762191-B2 TREATING DISEASES FOR MODULATING OF 5-HT ACTIVITY, CENTRAL NERVOUS SYSTEM DISORDERS, ANXIETY, OBESITY, DEPRESSION, OR A STRESS-RELATED DISEASE PHARMACIA & UPJOHN COMPANY 2004-07-13 US disclosed
EP-1404679-A2 (HETERO)ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-04-07 EP disclosed
US-20030050304-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2003-03-13 US disclosed
WO-2003004501-A2 (HETERO) ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-01-16 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-20040214815-A1 Therapeutic compounds HTR5A, HTR6, HTR1A MGLL 3067/4885LIPE 3587/4885USP30 4736/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A MGLL 3067/4885LIPE 3587/4885USP30 4736/4885

“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.