SCHEMBL2291945

SCHEMBL2291945

CN1C2CCCC1CN(C(=O)Oc1ccc(/N=N/c3ccccc3)cc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.48
GAA P10253 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
XIAP P98170 1/20 0.42
BIRC2 Q13490 1/20 0.42
NPY2R P49146 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE4B Q07343 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTR3A P46098 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
POLB P06746 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
SCHEMBL2291947 1.00 CHRNA7 (0.48) CHRNA7GAANPC1RAB9ACYP1A2
SCHEMBL2289647 0.95 GAA (0.49) CHRNA7GAANPC1RAB9ACYP1A2
SCHEMBL2289644 0.95 GAA (0.49) CHRNA7GAANPC1RAB9ACYP1A2
Fumaric Acid SCHEMBL2290329 0.95 CHRNA7 (0.44) CHRNA7GAANPC1RAB9ACYP1A2
SCHEMBL2291959 0.93 CHRNA7 (0.46) CHRNA7GAANPC1RAB9ACYP1A2
SCHEMBL2291955 0.93 CHRNA7 (0.46) CHRNA7GAANPC1RAB9ACYP1A2
SCHEMBL2294912 0.91 CHRNA7 (0.46) CHRNA7GAANPC1RAB9ACYP1A2
SCHEMBL2294915 0.91 CHRNA7 (0.46) CHRNA7GAANPC1RAB9ACYP1A2
Fumaric Acid SCHEMBL2291366 0.90 GAA (0.44) CHRNA7GAANPC1RAB9ACYP1A2
SCHEMBL2293998 0.88 GAA (0.47) CHRNA7GAANPC1RAB9ACYP2D6

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 CHRNA7 308/4885GAA 75/4885NPC1 347/4885

“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.