SCHEMBL13627440

SCHEMBL13627440

CN(CCO)C(=O)c1ccc2c(c1)Oc1ccccc1C2=C1CC2CCC(C1)N2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.42
OPRD1 P41143 4/20 0.38
OPRM1 P35372 3/20 0.38
ROCK2 O75116 3/20 0.37
RAB9A P51151 1/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
ALOX5 P09917 1/20 0.34
ROCK1 Q13464 1/20 0.33
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL29457700 0.86 OPRD1 (0.53) PDK2OPRD1OPRM1HPGDALDH1A1
SCHEMBL489982 0.86 OPRD1 (0.53) PDK2OPRD1OPRM1HPGDALDH1A1
SCHEMBL31270719 0.86 OPRD1 (0.53) PDK2OPRD1OPRM1HPGDALDH1A1
SCHEMBL490529 0.84 PIK3CA (0.37) PDK2OPRD1OPRM1RAB9AHPGD
SCHEMBL3969303 0.81 ALOX5 (0.41) OPRD1OPRM1ALDH1A1GAATSHR
SCHEMBL3963979 0.81 PDK2 (0.38) PDK2OPRD1OPRM1ROCK2RAB9A
SCHEMBL3970059 0.78 OPRD1 (0.40) OPRD1OPRM1CYP2D6KCNH2
SCHEMBL490528 0.77 KMT2A (0.42) OPRD1OPRM1ROCK2HPGDGAA
SCHEMBL490547 0.77 OPRD1 (0.49) PDK2OPRD1OPRM1HPGDALDH1A1
SCHEMBL490202 0.76 OPRD1 (0.55) OPRD1OPRM1HPGDCYP2D6KCNH2

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 3 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

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 PDK2 2376/4885OPRD1 1/4885OPRM1 3/4885

“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.