SCHEMBL2836561

SCHEMBL2836561

Cc1ccc(N2CC[N]CC2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MCOLN3 Q8TDD5 1/20 0.51
LMNA P02545 4/20 0.49
HTT P42858 4/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
THRB P10828 1/20 0.44
NR4A1 P22736 1/20 0.44
PTK2B Q14289 1/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.44
DRD2 P14416 4/20 0.43
DRD4 P21917 2/20 0.43
IGF1R P08069 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
SCHEMBL2092264 0.93 MAPT (0.50) MAPTALDH1A1MCOLN3LMNAHTT
SCHEMBL3123741 0.85 MAPT (0.54) MAPTALDH1A1LMNAHTTPOLB
SCHEMBL9832991 0.82 ALDH1A1 (0.65) MAPTALDH1A1MCOLN3LMNAHTT
SCHEMBL22839748 0.82 ALDH1A1 (0.60) MAPTALDH1A1MCOLN3LMNAHTT
SCHEMBL4147109 0.81 ALDH1A1 (0.44) MAPTALDH1A1LMNAHTTGAA
SCHEMBL4142914 0.81 DRD2 (0.45) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL4885809 0.80 MAPT (0.68) MAPTALDH1A1MCOLN3LMNAHTT
SCHEMBL10515573 0.79 HTR3E (0.67) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL3728213 0.79 RBP4 (0.37) MAPTALDH1A1MCOLN3LMNAHTT
SCHEMBL7923952 0.78 HTR1A (0.58) MAPTALDH1A1MCOLN3LMNAHTT

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007045622-A1 OXAZOLO [4 , 5-B] PYRIDINE COMPOUNDS AS NITRIC OXIDE SYNTHASE INHIBITORS NYCOMED GMBH (DE) 2007-04-26 WO claimed
EP-1172079-A1 Use of an organometallic compound for protecting and/or strengthening keratinous materials, and method of treatment L'OREAL (FR) 2002-01-16 EP claimed
EP-2565182-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2017-10-11 EP disclosed
EP-2364975-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-12 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-2565182-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2013-03-06 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20100216790-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2010-08-26 US disclosed
US-7709488-B2 Imidazopyridine-derivatives as inducible no-synthase inhibitors ALTANA PHARMA AG (DE) 2010-05-04 US disclosed
WO-2009075691-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2009-06-18 WO disclosed
EP-1670796-B1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NYCOMED GMBH (DE) 2008-06-25 EP disclosed
WO-1999061438-A1 QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-02 WO disclosed
EP-0863899-A1 PYRIDOPYRIMIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1998-09-16 EP disclosed
US-5668131-A CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-09-16 US disclosed
WO-1997019946-A1 PYRIDOPYRIMIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-06-05 WO disclosed
EP-0772593-A1 THIOPYRIDYL COMPOUNDS FOR CONTROLLING HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1997-05-14 EP disclosed
EP-0740649-A1 NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE Byk Nederland BV (NL) 1996-11-06 EP disclosed
WO-1996002505-A1 THIOPYRIDYL COMPOUNDS FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-02-01 WO disclosed
WO-1996000224-A1 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-01-04 WO disclosed
WO-1995019952-A1 NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1995-07-27 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 (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-20100216790-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NOS2, NOS1, NOS3 MAPT 4138/4885ALDH1A1 383/4885MCOLN3 4811/4885

“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.