SCHEMBL9999110

SCHEMBL9999110

CC(C)(C)OC(=O)N1CCN(c2ncc(CCC3COC(C)(C)O3)cc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.42
GPR119 Q8TDV5 7/20 0.41
KIT P10721 2/20 0.35
GRIA1 P42261 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL14936065 1.00 ALK (0.42) ALKGPR119KITGRIA1TLR9
SCHEMBL12074440 0.90 MEN1 (0.42) ALKGPR119KITMAPTHTT
SCHEMBL14935609 0.90 MEN1 (0.42) ALKGPR119KITMAPTHTT
SCHEMBL14935793 0.79 GPR119 (0.42) ALKGPR119ALDH1A1MAPT
SCHEMBL12073148 0.79 GPR119 (0.42) ALKGPR119ALDH1A1MAPT
SCHEMBL14936144 0.77 JAK1 (0.47) ALKGPR119
SCHEMBL12074202 0.77 JAK1 (0.47) ALKGPR119
SCHEMBL9999006 0.77 GPR119 (0.48) ALKGPR119KITGRIA1
SCHEMBL18902111 0.75 GPR119 (0.48) ALKGPR119KITGRIA1
SCHEMBL14935781 0.74 TRPV1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921373-B2 Compounds having TRPV1 antagonistic activity and uses thereof SHIONOGI & CO., LTD. (JP) 2014-12-30 US disclosed
US-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF PURDUE PHARMA L.P. 2013-05-16 US disclosed
EP-2585446-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF Shionogi&Co., Ltd. (JP) 2013-05-01 EP disclosed
WO-2011162409-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2011-12-29 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 (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-20130123239-A1 COMPOUNDS HAVING TRPV1 ANTAGONISTIC ACTIVITY AND USES THEREOF TRPV1, TRPA1, TRPV2 ALK 3911/4885GPR119 84/4885KIT 228/4885

“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.