SCHEMBL931002

SCHEMBL931002

O=C(c1cc2cccc(N3CCNCC3)c2o1)N1CCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTT P42858 1/20 0.47
HTR5A P47898 2/20 0.44
GRIN2B Q13224 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CYP1A2 P05177 1/20 0.43
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 0.43
NCF1 P14598 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL27859650 0.83 ALDH1A1 (0.50) ALDH1A1HPGDMEN1GLAGAA
SCHEMBL931464 0.80 GRIN2B (0.67) ALDH1A1L3MBTL1MEN1GLAGAA
SCHEMBL931754 0.80 HTR5A (0.44) HTR5AHTR3EHTR3BCYP1A2HTR1A
SCHEMBL31289327 0.80 CHRNA7 (0.48) POLBMAPTALDH1A1HPGDL3MBTL1
SCHEMBL12353735 0.77 LMNA (0.60) MAPTALDH1A1HPGDL3MBTL1MEN1
SCHEMBL12943554 0.75 HTR1A (0.44) HTR1AHTR2AHTR3A
SCHEMBL9228925 0.75 HTR5A (0.52) ALDH1A1HPGDHTR5AHTR3EHTR3B
SCHEMBL5866945 0.74 ALDH1A1 (0.49) POLBMAPTALDH1A1HPGDL3MBTL1
SCHEMBL931468 0.74
SCHEMBL9229724 0.74 HTR6 (0.48) ALDH1A1HPGDHTR5AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859534-B2 2-carboxamide-7-piperazinyl-benzofuran derivatives Acturum Life Science AB (SE) 2014-10-14 US disclosed
US-8859534-B2 2-carboxamide-7-piperazinyl-benzofuran derivatives Acturum Life Science AB (SE) 2014-10-14 US disclosed
US-8859534-B2 2-carboxamide-7-piperazinyl-benzofuran derivatives Acturum Life Science AB (SE) 2014-10-14 US disclosed
EP-2448934-B1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES ASTRAZENECA AB (SE) 2014-05-21 EP disclosed
EP-2448934-B1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES ASTRAZENECA AB (SE) 2014-05-21 EP disclosed
US-20130296296-A1 2-Carboxamide-7-Piperazinyl-Benzofuran Derivatives Acturum Life Science AB (SE) 2013-11-07 US disclosed
US-20130296296-A1 2-Carboxamide-7-Piperazinyl-Benzofuran Derivatives Acturum Life Science AB (SE) 2013-11-07 US disclosed
US-20130296296-A1 2-Carboxamide-7-Piperazinyl-Benzofuran Derivatives Acturum Life Science AB (SE) 2013-11-07 US disclosed
US-8367676-B2 2-carboxamide-7-piperazinyl-benzofuran derivatives 774 ASTRAZENECA AB (SE) 2013-02-05 US disclosed
US-8367676-B2 2-carboxamide-7-piperazinyl-benzofuran derivatives 774 ASTRAZENECA AB (SE) 2013-02-05 US disclosed
US-8367676-B2 2-carboxamide-7-piperazinyl-benzofuran derivatives 774 ASTRAZENECA AB (SE) 2013-02-05 US disclosed
EP-2448934-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 AstraZeneca AB (SE) 2012-05-09 EP disclosed
WO-2011002405-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 ASTRAZENECA AB (SE) 2011-01-06 WO disclosed
WO-2011002405-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 ASTRAZENECA AB (SE) 2011-01-06 WO disclosed
US-20100331341-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 ASTRAZENECA AB (SE) 2010-12-30 US disclosed
US-20100331341-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 ASTRAZENECA AB (SE) 2010-12-30 US disclosed
US-20100331341-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 ASTRAZENECA AB (SE) 2010-12-30 US 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 (2 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-20100331341-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 C1R, HTR4, HTR2C POLB 3615/4885MAPT 836/4885ALDH1A1 931/4885
US-20130296296-A1 2-Carboxamide-7-Piperazinyl-Benzofuran Derivatives C1R, CBR1, HTR2C POLB 3228/4885MAPT 883/4885ALDH1A1 888/4885

“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.