SCHEMBL736704

SCHEMBL736704

[CH]1CCCCC1N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
GRM5 P41594 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2A13 Q16696 1/20 0.32
HPGD P15428 1/20 0.32
MCOLN3 Q8TDD5 2/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
USP2 O75604 1/20 0.30
MAPT P10636 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
KCNA5 P22460 1/20 0.30
SCN5A Q14524 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL6370243 1.00 L3MBTL1 (0.39) L3MBTL1GRM5L3MBTL3ALDH1A1SMN1; SMN2
SCHEMBL738007 0.94 L3MBTL1 (0.40) L3MBTL1GRM5L3MBTL3ALDH1A1SMN1; SMN2
SCHEMBL736051 0.87 L3MBTL1 (0.44) L3MBTL1GRM5L3MBTL3ALDH1A1SMN1; SMN2
SCHEMBL735235 0.82 CYP2D6 (0.33) L3MBTL1L3MBTL3
SCHEMBL739014 0.80 CYP2D6 (0.32) L3MBTL1L3MBTL3
SCHEMBL737923 0.80 CYP2D6 (0.32) L3MBTL1L3MBTL3
SCHEMBL736026 0.80 CYP2D6 (0.32) L3MBTL1L3MBTL3
SCHEMBL9789988 0.80 L3MBTL1 (0.41) L3MBTL1GRM5L3MBTL3ALDH1A1SMN1; SMN2
SCHEMBL206897 0.78 CYP2D6 (0.33) L3MBTL1L3MBTL3
SCHEMBL4159670 0.78 CYP2D6 (0.33) L3MBTL1L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
US-8163770-B2 Benzoxathiin derivative MSD. K. K. (JP) 2012-04-24 US disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20100168156-A1 Novel Benzoxathiine Derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-7645756-B2 6-[4-(3-piperidin-1-ylpropoxy)-phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; has histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect; for metabolic system, circulatory system or nervous system diseases BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-01-12 US disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
US-7521455-B2 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-04-21 US disclosed
EP-1944301-A1 NOVEL BENZOXATHIIN DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP disclosed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 US disclosed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
US-5885984-A BLOCKADE OF ION CHANNELS AND THE TREATMENT OF ARRHYTHMIAS. UNIVERSITY OF BRITISH COLUMBIA (CA) 1999-03-23 US disclosed
US-5272268-A Dipeptide derivatives SHIONOGI & CO., LTD. (JP) 1993-12-21 US disclosed
US-5223615-A Hypotensive agents SHIONOGI & CO., LTD. (JP) 1993-06-29 US disclosed
US-5194608-A Hypotensive agents; inhibits renin-angiotensin system SHIONOGI & CO., LTD. (JP) 1993-03-16 US disclosed
EP-0468641-A2 Renin inhibiting dipeptide derivatives, their preparation and pharmaceutical preparations containing them SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-01-29 EP 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 (5 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-20100168156-A1 Novel Benzoxathiine Derivative XDH, GPR119, BRIX1 L3MBTL1 1803/4885GRM5 1930/4885L3MBTL3 2226/4885
US-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 L3MBTL1 2505/4885GRM5 263/4885L3MBTL3 3450/4885
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 L3MBTL1 2929/4885GRM5 144/4885L3MBTL3 3251/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 L3MBTL1 2929/4885GRM5 144/4885L3MBTL3 3251/4885
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative HRH3, HRH2, HRH4 L3MBTL1 2263/4885GRM5 431/4885L3MBTL3 2714/4885

“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.