SCHEMBL4711615

SCHEMBL4711615

CN1CCCN(c2ccc(N)cc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 4/20 0.44
GFER P55789 4/20 0.44
GAA P10253 3/20 0.44
ADRA2C P18825 1/20 0.44
PTK2B Q14289 1/20 0.44
ESR2 Q92731 1/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
MEN1 O00255 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
RECQL P46063 2/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL3577171 0.89 MAPT (0.47) MAPTALDH1A1KMT2AKDM4EGFER
SCHEMBL29348778 0.85 DRD2 (0.53) ALDH1A1KMT2AGAAMEN1NPC1
SCHEMBL25685276 0.84 MGLL (0.43) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL29348779 0.84 MEN1 (0.38) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL6362778 0.83 MEN1 (0.61) KMT2AKDM4EDDB1CRBNMEN1
SCHEMBL20057689 0.81 DRD2 (0.36) MAPTALDH1A1KMT2AKDM4EGAA
SCHEMBL20313983 0.81 GAA (0.49) MAPTALDH1A1KMT2AKDM4EGFER
SCHEMBL2555563 0.80 HRH3 (0.37) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL21594874 0.80 RAB9A (0.42) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL21594891 0.80 CHKA (0.50) ALDH1A1KMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824844-B1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2008-11-05 EP disclosed
EP-1824844-B1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2008-11-05 EP disclosed
EP-1824844-A1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF Bayer HealthCare AG (DE) 2007-08-29 EP disclosed
US-20070135442-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-06-14 US disclosed
US-20070135442-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-06-14 US disclosed
US-20070135442-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-06-14 US disclosed
WO-2007053094-A1 CHROMAN COMPOUNDS AS 5 -HTlB ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 WO disclosed
WO-2007053094-A1 CHROMAN COMPOUNDS AS 5 -HTlB ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 WO disclosed
US-20060287315-A1 Pyrazinedicarboxamides and their use BAYER HEALTHCARE AG (DE) 2006-12-21 US disclosed
WO-2006061116-A1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-15 WO disclosed
WO-2006061116-A1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-15 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 (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-20060287315-A1 Pyrazinedicarboxamides and their use PEPD, AADAC, PYCARD MAPT 4489/4885ALDH1A1 2019/4885KMT2A 1950/4885
US-20070135442-A1 Chroman compounds CYP3A43, CYP2C9, CYP2C8 MAPT 3096/4885ALDH1A1 1546/4885KMT2A 2880/4885

“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.