SCHEMBL1637550

SCHEMBL1637550

c1ccc2cc(C3CNCCN3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.49
SLC6A4 P31645 8/20 0.49
SLC6A3 Q01959 8/20 0.49
KCNH2 Q12809 4/20 0.49
CYP2D6 P10635 2/20 0.49
KDM1A O60341 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
REN P00797 1/20 0.38

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
SCHEMBL11878512 0.85 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL1638815 0.81 MAOA (0.43) SLC6A2SLC6A4SLC6A3MAOAHTR2C
SCHEMBL1639225 0.77 SLC18A3 (0.43) KDM1AMAOAMAOBKDM4E
SCHEMBL451612 0.77 SLC18A3 (0.43) KDM1AMAOAMAOBKDM4E
SCHEMBL1638075 0.77 SLC18A3 (0.43) KDM1AMAOAMAOBKDM4E
SCHEMBL19580684 0.77 L3MBTL1 (0.55) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL22342845 0.77 L3MBTL1 (0.55) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL25973030 0.77 L3MBTL1 (0.55) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL31481180 0.77 L3MBTL1 (0.55) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL23992073 0.76 NR1H4 (0.53) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805938-A1 Bi- or tricyclic sterically hindered alkoxyamines and process for their preparation BASF SE (DE) 2014-11-26 EP disclosed
US-8809533-B2 Bi- or tricyclic sterically hindered alkoxyamines and process for their preparation BASF SE (DE) 2014-08-19 US disclosed
EP-2464628-B1 BI - OR TRICYCLIC STERICALLY HINDERED ALKOXYAMINES AND PROCESS FOR THEIR PREPARATION BASF SE (DE) 2014-07-23 EP disclosed
US-20140039100-A1 BI - OR TRICYCLIC STERICALLY HINDERED ALKOXYAMINES AND PROCESS FOR THEIR PREPARATION BASF SE (DE) 2014-02-06 US disclosed
US-8598369-B2 Bi—or tricyclic sterically hindered alkoxyamines and process for their preparation BASF SE (DE) 2013-12-03 US disclosed
US-8492394-B2 (3-aryl-piperazin-1-yl), (2-aryl-morpholin-4-yl) and (2-aryl-thiomorpholin-4-yl) derivatives of 6,7-dialkoxy-quinazoline, 6,7-dialkoxyphtalazine and 6,7-dialkoxyisoquinoline as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2013-07-23 US disclosed
EP-2057153-B1 (3-ARYL-PIPERAZIN-1-YL) DERIVATIVES OF 6,7-DIALKOXYQUINAZOLINE, 6,7- DIALKOXYPHTALAZINE AND 6,7-DIALKOXYISOQUINOLINE LUNDBECK & CO AS H (DK) 2012-09-12 EP disclosed
US-20120178829-A1 BI - OR TRICYCLIC STERICALLY HINDERED ALKOXYAMINES AND PROCESS FOR THEIR PREPARATION BASF SE (DE) 2012-07-12 US disclosed
EP-2464628-A1 BI - OR TRICYCLIC STERICALLY HINDERED ALKOXYAMINES AND PROCESS FOR THEIR PREPARATION BASF SE (DE) 2012-06-20 EP disclosed
CN-102482217-A Bicyclic or tricyclic sterically hindered alkoxyamines and process for their preparation BASF SE 2012-05-30 CN disclosed
US-20110098286-A1 (3-ARYL-PIPERAZIN-1-YL), (2-ARYL-MORPHOLIN-4-YL) AND (2-ARYL-THIOMORPHOLIN-4-YL) DERIVATIVES OF 6,7-DIALKOXY-QUINAZOLINE, 6,7-DIALKOXYPHTALAZINE AND 6,7-DIALKOXYISOQUINOLINE H. LUNDBECK A/S (DK) 2011-04-28 US disclosed
WO-2011018384-A1 BI - OR TRICYCLIC STERICALLY HINDERED ALKOXYAMINES AND PROCESS FOR THEIR PREPARATION BASF SE (DE) 2011-02-17 WO disclosed
EP-2057153-A1 (3-ARYL-PIPERAZIN-1-YL), (2-ARYL-MORPHOLIN-4-YL) AND (2-ARYL- THIOMORPHOLIN-4-YL) DERIVATIVES OF 6,7-DIALKOXYQUINAZOLINE, 6,7- DIALKOXYPHTALAZINE AND 6,7-DIALKOXYISOQUINOLINE H.Lundbeck A/S (DK) 2009-05-13 EP disclosed
WO-2008006372-A1 (3-ARYL-PIPERAZIN-1-YL), (2-ARYL-MORPHOLIN-4-YL) AND (2-ARYL- THIOMORPHOLIN-4-YL) DERIVATIVES OF 6,7-DIALKOXYQUINAZOLINE, 6,7- DIALKOXYPHTALAZINE AND 6,7-DIALKOXYISOQUINOLINE H. LUNDBECK A/S (DK) 2008-01-17 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-20110098286-A1 (3-ARYL-PIPERAZIN-1-YL), (2-ARYL-MORPHOLIN-4-YL) AND (2-ARYL-THIOMORPHOLIN-4-YL) DERIVATIVES OF 6,7-DIALKOXY-QUINAZOLINE, 6,7-DIALKOXYPHTALAZINE AND 6,7-DIALKOXYISOQUINOLINE PDE5A, PDE2A, PDE3A SLC6A2 88/4885SLC6A4 158/4885SLC6A3 39/4885
US-20120178829-A1 BI - OR TRICYCLIC STERICALLY HINDERED ALKOXYAMINES AND PROCESS FOR THEIR PREPARATION CAT, SCO2, GPX4 SLC6A2 4043/4885SLC6A4 3142/4885SLC6A3 4411/4885

“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.