SCHEMBL10068664

SCHEMBL10068664

CN1C(=O)CCc2c(CC=O)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.45
HTR1D P28221 2/20 0.45
HTR1B P28222 2/20 0.45
SLC6A4 P31645 2/20 0.45
KCNH2 Q12809 2/20 0.45
BRD4 O60885 2/20 0.37
TRPV1 Q8NER1 8/20 0.36
BRPF1 P55201 1/20 0.34
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PABPC1 P11940 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL12020832 0.85 HTR1A (0.48) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL19176090 0.80 HTR1A (0.51) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL25732820 0.79 HTR1A (0.45) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL3600670 0.77 TRPV1 (0.40) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL3148164 0.75 BRD4 (0.46) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL424738 0.74 NOTUM (0.47) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL16110071 0.74 TRPV1 (0.40) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL4169835 0.74 HTR1A (0.47) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL24265742 0.72 TRPV1 (0.39) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL9653024 0.72 TRPV1 (0.42) HTR1AHTR1DHTR1BSLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 211/4885HTR1D 381/4885HTR1B 166/4885

“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.