SCHEMBL16165

SCHEMBL16165

Clc1ccc(Cl)c(C2CNCCN2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.45
HTR2A P28223 7/20 0.45
HTR2B P41595 7/20 0.45
ADRB1 P08588 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
CNR1 P21554 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
HRH1 P35367 1/20 0.45
KCNH2 Q12809 1/20 0.45
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
PDE10A Q9Y233 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HTR3A P46098 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
SCHEMBL1638955 0.86 HTR2C (0.44) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL263979 0.79 HTR2C (0.42) HTR2CHTR2AHTR2BSLC6A2
Hydrochloric Acid SCHEMBL7249716 0.77 HTR2C (0.41) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL10382642 0.77 HTR2C (0.41) HTR2CHTR2AHTR2B
SCHEMBL17103038 0.77 HTR2C (0.40) HTR2CHTR2AHTR2BADRA2AADRA2B
Hydrochloric Acid SCHEMBL31738277 0.76 MEN1 (0.42) SLC6A4CHRNB2CHRNA4PDE10A
SCHEMBL7997129 0.75 HTR2A (0.36) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL1638818 0.75 HTR2A (0.45) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL263978 0.74 HTR3A (0.53) SLC6A2SLC6A4HTR3A
SCHEMBL1673686 0.74 HTR3A (0.53) SLC6A2SLC6A4HTR3A

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-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-2609081-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES Amgen Inc. (US) 2013-07-03 EP disclosed
US-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 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-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 US disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO 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 (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 HTR2C 47/4885HTR2A 40/4885HTR2B 80/4885
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES GCKR, GCK, SLC5A2 HTR2C 3581/4885HTR2A 3775/4885HTR2B 4271/4885

“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.