SCHEMBL13627439

SCHEMBL13627439

CN(CCO)C(=O)c1ccc2c(=O)c3ccccc3oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.59
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
MAOA P21397 3/20 0.49
BRD4 O60885 2/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
PGAM1 P18669 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
XDH P47989 1/20 0.45
BCHE P06276 6/20 0.44
ACHE P22303 4/20 0.44
PDK2 Q15119 1/20 0.44

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
SCHEMBL490073 0.81 TTR (0.63) TTRNPC1RAB9AMAOAKDM4E
SCHEMBL490550 0.80 TTR (0.62) TTRNPC1RAB9AMAOAKDM4E
SCHEMBL27733179 0.75 TTR (0.77) TTRNPC1RAB9AMAOAKDM4E
SCHEMBL490420 0.75 TTR (1.00) TTRNPC1RAB9AMAOAKDM4E
SCHEMBL3964072 0.74 TTR (0.74) TTRNPC1RAB9AMAOAKDM4E
SCHEMBL490247 0.73 TTR (0.68) TTRNPC1RAB9AMAOAKDM4E
SCHEMBL490183 0.73 TTR (0.63) TTRNPC1RAB9AMAOAKDM4E
SCHEMBL10795881 0.71 HDAC4 (0.54) ALDH1A1HPGDSMN1; SMN2PDK2
Xanthone SCHEMBL27708184 0.71 MAOA (0.82) TTRNPC1RAB9AMAOAKDM4E
SCHEMBL11841021 0.70 TTR (0.49) TTR

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-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 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 (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-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS OPRD1, OPRK1, OPRM1 TTR 4116/4885NPC1 3279/4885RAB9A 1151/4885

“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.