SCHEMBL1637389

SCHEMBL1637389

COc1cccc([C@@H]2CNCCN2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.56
EED O75530 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
PDE10A Q9Y233 3/20 0.43
HTR7 P34969 1/20 0.43
ADRB1 P08588 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 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
SCHEMBL1637555 1.00 HTR2C (0.56) HTR2CEEDMEN1KMT2AHTR2A
SCHEMBL1636847 1.00 HTR2C (0.56) HTR2CEEDMEN1KMT2AHTR2A
SCHEMBL12536768 0.84 HTR2C (0.60) HTR2CEEDMEN1KMT2AKDM4E
SCHEMBL3957254 0.83 ADRB1 (0.40) HTR2CEEDMEN1KMT2AHTR2A
SCHEMBL1639240 0.83 ADRB1 (0.40) HTR2CEEDMEN1KMT2AHTR2A
SCHEMBL1638815 0.83 MAOA (0.43) HTR2CMEN1KMT2AHTR2AHTR2B
SCHEMBL5562690 0.80 MAOA (0.53) HTR2CMEN1KMT2AHTR2AHTR2B
SCHEMBL1639545 0.80 MAOA (0.53) HTR2CMEN1KMT2AHTR2AHTR2B
SCHEMBL6178879 0.79 MEN1 (0.61) HTR2CEEDMEN1KMT2AHTR2A
SCHEMBL2808985 0.79 MEN1 (0.61) HTR2CEEDMEN1KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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-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 HTR2C 47/4885EED 4780/4885MEN1 4582/4885

“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.