SCHEMBL5097362

SCHEMBL5097362

COc1cccc2c1Oc1cc(C#N)ccc1C2C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 13/20 0.44
▸ CETP P11597 1/20 0.41
▸ TGFBR1 P36897 2/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5096953 0.87 GPR119 (0.43) GPR119TGFBR1ALDH1A1
SCHEMBL5097027 0.81 PDE4A (0.42) GPR119TGFBR1
SCHEMBL5091008 0.80 HTT (0.40) GPR119TGFBR1ALDH1A1
SCHEMBL5090892 0.74 MAPT (0.37) ALDH1A1
SCHEMBL4519627 0.73 GPR119 (0.47) GPR119IRAK4
SCHEMBL5090995 0.72 HSD17B1 (0.46) —
SCHEMBL201583 0.72 GPR119 (0.64) GPR119
SCHEMBL3487620 0.70 GPR119 (0.72) GPR119
SCHEMBL6808688 0.70 GPR119 (0.51) GPR119JAK2JAK3PTK2IRAK4
SCHEMBL14012602 0.69 HSD17B1 (0.43) IRAK4ALDH1A1

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
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — US disclosed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — US disclosed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — US disclosed
EP-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 — — EP disclosed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 — — WO disclosed
US-20060135522-A1 Tricyclic delta-opioid modulators CARSON JOHN R 2006-06-22 — — 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 (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-20060135522-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 GPR119 540/4885CETP 1048/4885TGFBR1 771/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 GPR119 540/4885CETP 1048/4885TGFBR1 771/4885

“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.

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