SCHEMBL1638869

SCHEMBL1638869

Clc1ccc(C2CNCCS2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.63
MAOB P27338 4/20 0.58
HTR3A P46098 1/20 0.50
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
CHRM1 P11229 3/20 0.36
HRH1 P35367 3/20 0.36
KCNH2 Q12809 2/20 0.36
MAP2K1 Q02750 1/20 0.36

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
SCHEMBL18897097 0.81 MAOA (0.63) MAOAMAOBSLC6A2SLC6A3CYP3A4
SCHEMBL12015997 0.81 MAOA (0.68) MAOAMAOBCYP3A4CYP2D6CHRM1
SCHEMBL1681280 0.81 MAOA (0.63) MAOAMAOBCYP3A4CYP2D6CHRM1
SCHEMBL324588 0.81 MAOA (0.63) MAOAMAOBKCNH2MAP2K1
SCHEMBL1639044 0.81 MAOA (0.63) MAOAMAOBCYP3A4CYP2D6CHRM1
SCHEMBL1636929 0.81 MAOB (0.63) MAOAMAOBCYP3A4CYP2D6CHRM1
SCHEMBL25897960 0.81 MAOA (0.62) MAOAMAOBSLC6A2SLC6A3CYP3A4
Hydrochloric Acid SCHEMBL2436215 0.79 MAOB (0.61) MAOAMAOBCYP3A4CYP2D6CHRM1
SCHEMBL27510458 0.79 MAOA (0.59) MAOAMAOBMAP2K1
SCHEMBL3213057 0.78 MAOA (0.58) MAOAMAOBCYP3A4CYP2D6CHRM1

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
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
CN-101495476-A (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 LUNDBECK & CO AS H (DK) 2009-07-29 CN 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 MAOA 46/4885MAOB 82/4885HTR3A 52/4885

“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.