SCHEMBL945154

SCHEMBL945154

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.51
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL948848 0.85 ALDH1A1 (0.52) NOTUMALDH1A1MAPTHSD17B10LMNA
SCHEMBL3789114 0.84 NOTUM (0.52) NOTUMALDH1A1LMNAKDM4EHPGD
SCHEMBL27781919 0.81 ALDH1A1 (0.53) NOTUMALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL15721520 0.80 NOTUM (0.50) NOTUMALDH1A1MAPTLMNAKDM4E
SCHEMBL8803744 0.80 NOTUM (0.58) NOTUMALDH1A1MAPTLMNAKDM4E
SCHEMBL8569157 0.79 NOTUM (0.61) NOTUMALDH1A1MAPTLMNAKDM4E
SCHEMBL13020232 0.79 NOTUM (0.61) NOTUMALDH1A1MAPTLMNAKDM4E
SCHEMBL27760358 0.79 ALDH1A1 (0.69) NOTUMALDH1A1MAPT
SCHEMBL3783835 0.78 NOTUM (0.60) NOTUMALDH1A1MAPTLMNAKDM4E
SCHEMBL3782121 0.78 NOTUM (0.62) NOTUMALDH1A1MAPTLMNAKDM4E

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 8 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
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-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

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 NOTUM 2241/4885ALDH1A1 931/4885MAPT 836/4885
US-20130296296-A1 2-Carboxamide-7-Piperazinyl-Benzofuran Derivatives C1R, CBR1, HTR2C NOTUM 2690/4885ALDH1A1 888/4885MAPT 883/4885

“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.