SCHEMBL3961355

SCHEMBL3961355

Cn1nnc(-c2ccc3c(c2)Oc2ccccc2C3=C2CC3CCC(C2)N3C(=O)C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.36
GPER1 Q99527 1/20 0.36
SETD7 Q8WTS6 1/20 0.35
NPY5R Q15761 1/20 0.35
DRD2 P14416 1/20 0.33
PDK2 Q15119 1/20 0.33
FFAR1 O14842 3/20 0.31
AKT1 P31749 2/20 0.31
AKT2 P31751 2/20 0.31

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
SCHEMBL4778945 0.89 NPY5R (0.34) BDKRB1GPER1SETD7NPY5RDRD2
SCHEMBL3963585 0.84 ABCC9 (0.37) BDKRB1SETD7
SCHEMBL3965157 0.81
SCHEMBL3969285 0.80 SETD7 (0.40) SETD7NPY5RDRD2AKT1AKT2
SCHEMBL3965754 0.79 AHR (0.34) SETD7PDK2
SCHEMBL3969110 0.79 F10 (0.33) SETD7PDK2
SCHEMBL3965271 0.78 DPP4 (0.31)
SCHEMBL3966059 0.78 PARP1 (0.33)
SCHEMBL3967461 0.78
SCHEMBL13627442 0.77 SETD7 (0.31) SETD7

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 BDKRB1 285/4885GPER1 42/4885SETD7 3200/4885
US-20060030585-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 BDKRB1 267/4885GPER1 79/4885SETD7 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.