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Sugi Predict / Compounds / SCHEMBL5120216

SCHEMBL5120216

SCHEMBL5120216

CC(C)(C)OC(=O)N1CCC(N2c3ccccc3Oc3cc(-c4nnn[nH]4)ccc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.41
▸ GPR119 Q8TDV5 4/20 0.40
▸ HTT P42858 1/20 0.39
▸ CTSS P25774 2/20 0.38
▸ CACNB4 O00305 2/20 0.38
▸ CACNA1A O00555 2/20 0.38
▸ CACNA1G O43497 2/20 0.38
▸ CACNG3 O60359 2/20 0.38
▸ CACNA1F O60840 2/20 0.38
▸ CACNA1H O95180 2/20 0.38
▸ CACNB3 P54284 2/20 0.38
▸ CACNA2D1 P54289 2/20 0.38
▸ CACNG7 P62955 2/20 0.38
▸ CACNA1B Q00975 2/20 0.38
▸ CACNA1D Q01668 2/20 0.38
▸ CACNB1 Q02641 2/20 0.38
▸ CACNG1 Q06432 2/20 0.38
▸ CACNB2 Q08289 2/20 0.38
▸ CACNA1S Q13698 2/20 0.38
▸ CACNA1C Q13936 2/20 0.38

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
SCHEMBL3173775 0.87 CHRM2 (0.36) USP30GPR119CTSS
SCHEMBL3175438 0.87 CHRM2 (0.36) USP30GPR119CTSS
SCHEMBL3173781 0.87 CHRM2 (0.36) USP30GPR119CTSS
SCHEMBL5119533 0.83 GPR119 (0.50) USP30GPR119CTSSPTPN2PTPN1
SCHEMBL5115016 0.81 GPR119 (0.53) USP30GPR119PTPN2PTPN1PTPN6
SCHEMBL5115349 0.81 PIM1 (0.38) CACNA1BMAPTMEN1KMT2A
SCHEMBL5112850 0.80 MEN1 (0.46) USP30GPR119CACNB4CACNA1ACACNA1G
SCHEMBL5114970 0.79 TGFBR1 (0.44) USP30GPR119MAPTSCD5PTPN2
SCHEMBL4517473 0.78 GPR119 (0.50) GPR119
SCHEMBL3168648 0.76 CHRNB4 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS COATS STEVEN J 2008-12-25 — — US disclosed
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS COATS STEVEN J 2008-12-25 — — US disclosed
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS COATS STEVEN J 2008-12-25 — — US disclosed
US-7432257-B2 Piperdinyl-phenoxazine and phenothiazine derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-07 — — US disclosed
US-7432257-B2 Piperdinyl-phenoxazine and phenothiazine derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-07 — — US disclosed
US-7432257-B2 Piperdinyl-phenoxazine and phenothiazine derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-07 — — US disclosed
EP-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 — — EP disclosed
WO-2006074388-A2 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 — — WO disclosed
US-20060148823-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-06 — — 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-20060148823-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 USP30 1952/4885GPR119 540/4885HTT 1494/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 USP30 1952/4885GPR119 540/4885HTT 1494/4885

“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.