SCHEMBL2879386

SCHEMBL2879386

COC(=O)c1ccc(CNc2ccc(C)cc2[N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
RAB9A P51151 5/20 0.51
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
PTGER4 P35408 1/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 2/20 0.50
KAT2B Q92831 2/20 0.50
MAPK1 P28482 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL5361493 0.87 MAPT (0.70) MAPTL3MBTL1TDP1KMT2AMEN1
SCHEMBL9687209 0.87 MAPT (0.53) MAPTL3MBTL1TDP1KMT2AMEN1
SCHEMBL16713330 0.84 MAPT (0.56) MAPTL3MBTL1TDP1KMT2AMEN1
SCHEMBL4537985 0.84 MAPT (0.62) MAPTL3MBTL1TDP1KMT2AMEN1
SCHEMBL12004226 0.84 MAPT (0.56) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL15687598 0.84 POLB (0.61) MAPTL3MBTL1KMT2AMEN1RAB9A
SCHEMBL9687736 0.84 SMN1; SMN2 (0.60) MAPTHTTKMT2AMEN1RAB9A
SCHEMBL9689325 0.84 MAPT (0.63) MAPTL3MBTL1HTTKMT2AMEN1
SCHEMBL19278151 0.81 MAPT (0.69) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL10508498 0.81 MAPT (0.67) MAPTL3MBTL1TDP1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
EP-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 EP disclosed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 WO disclosed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 WO disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 US disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 US disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 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 (1 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-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists HNMT, HRH4, HRH3 MAPT 1614/4885L3MBTL1 4513/4885TDP1 3989/4885

“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.