SCHEMBL9955994

SCHEMBL9955994

CNC(=O)c1cc2c(N3CCN(Cc4ccccc4)CC3)cccc2o1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
DRD3 P35462 5/20 0.49
DRD2 P14416 4/20 0.49
ACHE P22303 4/20 0.48
BCHE P06276 1/20 0.48
DRD4 P21917 3/20 0.47
HTR1A P08908 1/20 0.47
DRD1 P21728 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
BACE1 P56817 2/20 0.46

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
SCHEMBL9954861 0.84 ALDH1A1 (0.47) DRD3DRD2KDM4ENPC1ALDH1A1
SCHEMBL9955066 0.83 PRMT1 (0.60) DRD3DRD2ACHEDRD4KDM4E
SCHEMBL9954948 0.81 KDM4E (0.48) DRD3DRD2HTR1ASIGMAR1KDM4E
SCHEMBL10068249 0.77 BACE1 (0.57) KDM4ENPC1ALDH1A1RAB9ABACE1
SCHEMBL9959855 0.76 HTR1A (0.56) DRD3DRD2DRD4HTR1ADRD1
SCHEMBL12341440 0.75 DRD4 (0.56) DRD3DRD2DRD4HTR1ABACE1
SCHEMBL12341439 0.74 HTR1A (0.56) DRD3DRD2DRD4HTR1ABACE1
SCHEMBL9051496 0.73 NPSR1 (0.51) DRD3DRD2HTR1AKDM4ENPC1
SCHEMBL1894830 0.71 NR1H4 (0.62) MAOBDRD2DRD4HTR1ASIGMAR1
SCHEMBL1885185 0.70 SIGMAR1 (0.51) DRD3DRD2DRD4HTR1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655365-B1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE Acturum Life Science AB (SE) 2015-12-16 EP disclosed
EP-2655365-B1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE Acturum Life Science AB (SE) 2015-12-16 EP disclosed
US-9012457-B2 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB (SE) 2015-04-21 US disclosed
US-9012457-B2 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB (SE) 2015-04-21 US disclosed
US-9012457-B2 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB (SE) 2015-04-21 US disclosed
US-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2014-11-06 US disclosed
US-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2014-11-06 US disclosed
US-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2014-11-06 US disclosed
EP-2655365-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE AstraZeneca AB (SE) 2013-10-30 EP disclosed
WO-2012087229-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2012-06-28 WO disclosed
WO-2012087229-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2012-06-28 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-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE GRIN2C, BDNF, GRIN2A MAOB 179/4885DRD3 989/4885DRD2 392/4885

“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.