SCHEMBL2823995

SCHEMBL2823995

Nc1ccc(N2CCN(Cc3ccccc3)CCC2=O)cn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SIGMAR1 Q99720 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
APOBEC3A P31941 1/20 0.44
RECQL P46063 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
GAA P10253 1/20 0.44
DRD4 P21917 3/20 0.42
ALDH1A1 P00352 1/20 0.42
DRD2 P14416 1/20 0.41
KCNH2 Q12809 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
SCHEMBL4902725 0.89 FNTA (0.46) MEN1KMT2ANPC1RAB9ASIGMAR1
SCHEMBL6324160 0.79 ALDH1A1 (0.52) MEN1KMT2ANPC1RAB9ASIGMAR1
SCHEMBL1126310 0.78 SIGMAR1 (0.60) KMT2ANPC1RAB9ASIGMAR1GAA
SCHEMBL2820867 0.74 HPGD (0.42) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL2824093 0.74 TRPC6 (0.40) GAAALDH1A1
SCHEMBL31035634 0.73 ALDH1A1 (0.51) MEN1KMT2AL3MBTL1GAAALDH1A1
SCHEMBL1269266 0.73 ALDH1A1 (0.51) MEN1KMT2AL3MBTL1GAAALDH1A1
SCHEMBL2343208 0.72 AKR1C3 (0.49) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL24525802 0.72 GAA (0.40) GAAALDH1A1KCNH2
SCHEMBL29813620 0.72 GAA (0.40) GAAALDH1A1KCNH2

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
EP-1742634-B1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-10-27 EP disclosed
EP-1742935-B1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-02-24 EP disclosed
US-7642354-B2 Use treating nervous system disorders, as neuroprotectants, gastrointestinal disorders, cardiovascular disorders; e.g. 2-(5-phenylpyridin-2-ylamino)-6-pyridin-2-ylpyrimidine ICAGEN, INC. (US) 2010-01-05 US disclosed
US-7560464-B2 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2009-07-14 US disclosed
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 US disclosed
EP-1742935-A1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-17 EP disclosed
EP-1742634-A1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAgen, Incorporated (US) 2007-01-17 EP disclosed
EP-1740155-A1 POLYCYLIC THIAZOLES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-10 EP disclosed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP disclosed
WO-2005121126-A1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-12-22 WO disclosed
US-20050267089-A1 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2005-12-01 US disclosed
WO-2005099673-A1 POLYCYLIC THIAZOLES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed
WO-2005099711-A1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed
US-20050239800-A1 Polycyclic pyrazines as potassium ion channel modulators ICAGEN, INC. (US) 2005-10-27 US disclosed
US-20050227989-A1 Polycyclic thiazoles as potassium ion channel modulators ICAGEN, INC. (US) 2005-10-13 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 (4 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-20050267089-A1 Polycyclic pyrimidines as potassium ion channel modulators KCNJ2, KCNJ1, KCNJ11 MEN1 3752/4885KMT2A 908/4885NPC1 1559/4885
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 MEN1 2428/4885KMT2A 563/4885NPC1 1509/4885
US-20050227989-A1 Polycyclic thiazoles as potassium ion channel modulators KCNJ2, KCNA3, KCNN3 MEN1 1698/4885KMT2A 809/4885NPC1 724/4885
US-20050239800-A1 Polycyclic pyrazines as potassium ion channel modulators KCNJ2, KCNH2, KCNJ1 MEN1 2382/4885KMT2A 702/4885NPC1 1213/4885

“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.