SCHEMBL5116098

SCHEMBL5116098

O=C(c1ccc2c(c1)Oc1ccccc1N2C1CCN(Cc2ccccc2)CC1)N1CCC(O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 4/20 0.48
PKM P14618 1/20 0.48
KDM4E B2RXH2 3/20 0.45
SLC6A12 P48065 1/20 0.43
SLC6A13 Q9NSD5 1/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACHE P22303 4/20 0.42
BCHE P06276 2/20 0.42
MBTD1 Q05BQ5 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
GAA P10253 1/20 0.42
OPRM1 P35372 1/20 0.41

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
SCHEMBL5116103 1.00 NPC1 (0.48) NPC1RAB9AALDH1A1PKMKDM4E
SCHEMBL5127558 0.91 NPC1 (0.51) NPC1RAB9AKDM4EKMT2AL3MBTL1
SCHEMBL5127560 0.91 NPC1 (0.51) NPC1RAB9AKDM4EKMT2AL3MBTL1
SCHEMBL5116381 0.91 RAB9A (0.41) NPC1RAB9AALDH1A1PKMKDM4E
SCHEMBL5116385 0.91 RAB9A (0.41) NPC1RAB9AALDH1A1PKMKDM4E
SCHEMBL5119412 0.87 KMT2A (0.44) NPC1RAB9AALDH1A1KDM4EKMT2A
SCHEMBL5119418 0.87 KMT2A (0.44) NPC1RAB9AALDH1A1KDM4EKMT2A
SCHEMBL5118932 0.86 NPC1 (0.43) NPC1RAB9AALDH1A1L3MBTL1TSHR
SCHEMBL5118934 0.86 NPC1 (0.43) NPC1RAB9AALDH1A1L3MBTL1TSHR
SCHEMBL5115820 0.85 SLC6A12 (0.52) ALDH1A1PKMSLC6A12SLC6A13TSHR

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 7 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
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-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 NPC1 1561/4885RAB9A 2741/4885ALDH1A1 1302/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 NPC1 1561/4885RAB9A 2741/4885ALDH1A1 1302/4885

“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.