SCHEMBL3970059

SCHEMBL3970059

CCN(CC)C(=N)c1ccc2c(c1)Oc1ccccc1C2=C1CC2CCC(C1)N2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.40
OPRM1 P35372 5/20 0.40
SETD7 Q8WTS6 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 6/20 0.32
KCNH2 Q12809 6/20 0.32
OPRK1 P41145 1/20 0.32
P2RX4 Q99571 1/20 0.30

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
SCHEMBL489982 0.88 OPRD1 (0.53) OPRD1OPRM1MEN1USP2KMT2A
SCHEMBL29457700 0.88 OPRD1 (0.53) OPRD1OPRM1MEN1USP2KMT2A
SCHEMBL31270719 0.88 OPRD1 (0.53) OPRD1OPRM1MEN1USP2KMT2A
SCHEMBL3969303 0.80 ALOX5 (0.41) OPRD1OPRM1SETD7MEN1KMT2A
SCHEMBL13627440 0.78 PDK2 (0.42) OPRD1OPRM1CYP2D6KCNH2
SCHEMBL4669628 0.78 SETD7 (0.46) OPRD1OPRM1SETD7CYP2D6KCNH2
SCHEMBL490529 0.78 PIK3CA (0.37) OPRD1OPRM1SETD7CYP2D6KCNH2
SCHEMBL490202 0.77 OPRD1 (0.55) OPRD1OPRM1MEN1KMT2ACYP2D6
SCHEMBL4511678 0.77 MEN1 (0.40) OPRD1OPRM1MEN1USP2KMT2A
SCHEMBL4521987 0.76 OPRD1 (0.44) OPRD1OPRM1MEN1KMT2ACYP2D6

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-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-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
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US disclosed
US-20060030585-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-09 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-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS OPRD1, OPRK1, OPRM1 OPRD1 1/4885OPRM1 3/4885SETD7 3200/4885
US-20060030585-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 OPRD1 1/4885OPRM1 4/4885SETD7 4197/4885

“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.