SCHEMBL948848

SCHEMBL948848

CC(=O)N1CCc2cc(CCN3CCN(C(=O)OC(C)(C)C)CC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
HSD17B10 Q99714 1/20 0.52
GPR119 Q8TDV5 6/20 0.47
DHODH Q02127 1/20 0.46
NOTUM Q6P988 5/20 0.46
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL945154 0.85 NOTUM (0.51) ALDH1A1MAPTHSD17B10NOTUMLMNA
SCHEMBL3789114 0.79 NOTUM (0.52) ALDH1A1NOTUMLMNAPOLBKDM4E
Tert-Butyl Formate SCHEMBL27876352 0.79 POLB (0.44) ALDH1A1MAPTNOTUMLMNAPOLB
SCHEMBL17444604 0.78 HRH3 (0.56)
SCHEMBL27781919 0.78 ALDH1A1 (0.53) ALDH1A1MAPTNOTUMKDM4E
SCHEMBL26241276 0.77 DHODH (0.49) ALDH1A1MAPTGPR119DHODHKDM4E
SCHEMBL5794750 0.77 DHODH (0.55) GPR119DHODHNOTUMPOLBRXFP1
SCHEMBL6822757 0.77 VEGFA (0.45) ALDH1A1MAPT
SCHEMBL18889415 0.76 SIGMAR1 (0.53) ALDH1A1MAPTLMNAPOLBKDM4E
SCHEMBL2850833 0.76 KDM1A (0.48) ALDH1A1GPR119POLB

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
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
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
CN-102482264-A 2-carbamoyl-7-piperazinyl-benzofuran derivatives 774 ASTRAZENECA AB 2012-05-30 CN 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
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 ALDH1A1 931/4885MAPT 836/4885HSD17B10 846/4885
US-20130296296-A1 2-Carboxamide-7-Piperazinyl-Benzofuran Derivatives C1R, CBR1, HTR2C ALDH1A1 888/4885MAPT 883/4885HSD17B10 657/4885

“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.