SCHEMBL2289644

SCHEMBL2289644

CN1C2CCC1CN(C(=O)Oc1ccc(/N=N/c3ccccc3)cc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
CHRNA7 P36544 2/20 0.45
NPY2R P49146 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HTR3A P46098 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
PDE4B Q07343 1/20 0.39

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
SCHEMBL2289647 1.00 GAA (0.49) GAANPC1RAB9ACHRNA7NPY2R
SCHEMBL2291947 0.95 CHRNA7 (0.48) GAANPC1RAB9ACHRNA7NPY2R
SCHEMBL2291945 0.95 CHRNA7 (0.48) GAANPC1RAB9ACHRNA7NPY2R
Fumaric Acid SCHEMBL2291366 0.95 GAA (0.44) GAANPC1RAB9ACHRNA7NPY2R
SCHEMBL2293998 0.93 GAA (0.47) GAANPC1RAB9ACHRNA7NPY2R
SCHEMBL2293996 0.93 GAA (0.47) GAANPC1RAB9ACHRNA7NPY2R
Fumaric Acid SCHEMBL2290329 0.91 CHRNA7 (0.44) GAANPC1RAB9ACHRNA7NPY2R
SCHEMBL2294915 0.88 CHRNA7 (0.46) GAANPC1RAB9ACHRNA7NPY2R
SCHEMBL2291955 0.88 CHRNA7 (0.46) GAANPC1RAB9ACHRNA7NPY2R
SCHEMBL2291959 0.88 CHRNA7 (0.46) GAANPC1RAB9ACHRNA7NPY2R

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994156-B2 Carboxylic acid 4-phenylazo-phenyl ester derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-08-09 US claimed
US-20100311699-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-12-09 US claimed
EP-2225212-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-09-08 EP claimed
WO-2009068595-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-06-04 WO claimed
US-7994156-B2 Carboxylic acid 4-phenylazo-phenyl ester derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-08-09 US disclosed
US-20100311699-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-12-09 US disclosed
EP-2225212-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-09-08 EP disclosed
WO-2009068595-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-06-04 WO 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-20100311699-A1 NOVEL CARBOXYLIC ACID 4-PHENYLAZO-PHENYL ESTER DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 GAA 75/4885NPC1 347/4885RAB9A 1589/4885

“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.