SCHEMBL3965210

SCHEMBL3965210

O=C(N1C2CCC1CC(=C1c3ccc(-c4noc(=O)[nH]4)cc3Oc3c(O)cccc31)C2)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
KCNH2 Q12809 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
XDH P47989 1/20 0.32
PARP1 P09874 1/20 0.32
RBP4 P02753 1/20 0.31
AGTR1 P30556 3/20 0.31
CCKAR P32238 3/20 0.31
CCKBR P32239 3/20 0.31
SLC33A1 O00400 2/20 0.31
SLC6A2 P23975 3/20 0.30
SLC6A4 P31645 1/20 0.30
CNR1 P21554 1/20 0.30
CMA1 P23946 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
SCHEMBL3964400 0.89 DPP4 (0.39) DPP4KCNH2DPP7XDHPARP1
SCHEMBL3969106 0.89 DPP4 (0.38) DPP4KCNH2DPP7RBP4AGTR1
SCHEMBL3963063 0.83 PARP1 (0.33) DPP4KCNH2DPP7XDHPARP1
SCHEMBL3965561 0.81 BRD4 (0.32) DPP4KCNH2DPP7
SCHEMBL3965271 0.80 DPP4 (0.31) DPP4KCNH2DPP7
SCHEMBL3382566 0.80 TERT (0.34)
SCHEMBL3966059 0.76 PARP1 (0.33) PARP1
SCHEMBL3965157 0.73
SCHEMBL3963066 0.71 AGTR1 (0.35) DPP4KCNH2DPP7XDHAGTR1
SCHEMBL3967467 0.70 XDH (0.35) DPP4KCNH2DPP7XDHPARP1

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 6 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-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 DPP4 2760/4885KCNH2 569/4885DPP7 3977/4885
US-20060030585-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 DPP4 2274/4885KCNH2 618/4885DPP7 3387/4885

“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.