SCHEMBL9959855

SCHEMBL9959855

CNC(=O)c1cc2c(N3CCN(CCc4cccc5c4CCC(=O)N5C)CC3)cccc2o1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.56
SLC6A4 P31645 6/20 0.56
HTR1D P28221 6/20 0.56
HTR1B P28222 6/20 0.56
KCNH2 Q12809 5/20 0.56
DRD2 P14416 8/20 0.43
DRD3 P35462 6/20 0.43
HTR2A P28223 5/20 0.43
DRD4 P21917 4/20 0.42
HTR2C P28335 3/20 0.42
CYP3A4 P08684 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
DRD1 P21728 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL9956089 0.81 HTR1A (0.45) HTR1ASLC6A4HTR1DHTR1BKCNH2
SCHEMBL9955994 0.76 MAOB (0.53) HTR1ADRD2DRD3DRD4DRD1
SCHEMBL9954861 0.73 ALDH1A1 (0.47) DRD2DRD3
SCHEMBL9954948 0.72 KDM4E (0.48) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL10068249 0.69 BACE1 (0.57)
SCHEMBL19176090 0.65 HTR1A (0.51) HTR1ASLC6A4HTR1DHTR1BKCNH2
SCHEMBL932198 0.65
SCHEMBL9051496 0.65 NPSR1 (0.51) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL10212300 0.64 HTR1A (0.76) HTR1ASLC6A4HTR1DHTR1BKCNH2
Hydrochloric Acid SCHEMBL430256 0.64 HTR1A (0.75) HTR1ASLC6A4HTR1DHTR1BKCNH2

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 16 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 claimed
US-9012457-B2 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB (SE) 2015-04-21 US claimed
US-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2014-11-06 US claimed
CN-103380129-A 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB 2013-10-30 CN claimed
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
CN-103380129-A 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB 2013-10-30 CN 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 HTR1A 211/4885SLC6A4 629/4885HTR1D 381/4885

“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.