SCHEMBL5115893

SCHEMBL5115893

CN1CCC(N2c3ccccc3Sc3cc(C(=O)N4CCC(O)C4)ccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
PDK2 Q15119 1/20 0.42
HSD11B1 P28845 1/20 0.41
BCHE P06276 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
OXTR P30559 2/20 0.41
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3178297 0.88 PDK2 (0.41) ALDH1A1PDK2BCHERAB9ANPC1
SCHEMBL5116460 0.88 L3MBTL3 (0.48) ALDH1A1HSD11B1BCHEOXTRL3MBTL3
SCHEMBL5111729 0.86 NPC1 (0.49) ALDH1A1PDK2RAB9ANPC1L3MBTL1
SCHEMBL27709208 0.85 RAB9A (0.40) ALDH1A1PDK2HSD11B1BCHERAB9A
SCHEMBL5998189 0.83 BCHE (0.45) ALDH1A1BCHEL3MBTL1SMN1; SMN2
SCHEMBL5112751 0.82 HRH3 (0.45) ALDH1A1RAB9ANPC1OXTRL3MBTL1
SCHEMBL5118932 0.82 NPC1 (0.43) ALDH1A1PDK2HSD11B1RAB9ANPC1
SCHEMBL5118934 0.82 NPC1 (0.43) ALDH1A1PDK2HSD11B1RAB9ANPC1
SCHEMBL13394972 0.81 RAB9A (0.38) ALDH1A1PDK2RAB9ANPC1SMN1; SMN2
SCHEMBL3178074 0.81 RAB9A (0.47) ALDH1A1PDK2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432257-B2 Piperdinyl-phenoxazine and phenothiazine derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-07 US claimed
CN-101128460-A Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 CN claimed
US-20060148823-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-06 US claimed
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
CN-101128460-A Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 CN 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 ALDH1A1 1302/4885PDK2 4153/4885HSD11B1 603/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 ALDH1A1 1302/4885PDK2 4153/4885HSD11B1 603/4885

“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.