Sugi Predict

Sugi Predict / Compounds / SCHEMBL380703

SCHEMBL380703

SCHEMBL380703

c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCC2

nearest known ligand 0.93

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.93
▸ MAOB P27338 4/20 0.52
▸ MAOA P21397 3/20 0.52
▸ CYP2A6 P11509 2/20 0.52
▸ HTR2C P28335 1/20 0.50
▸ HPGD P15428 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ BCL2L1 Q07817 1/20 0.46
▸ BAD Q92934 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.43
▸ PNMT P11086 1/20 0.43
▸ CD44 P16070 1/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD5 P21918 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ MAPT P10636 1/20 0.41

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
SCHEMBL30404988 1.00 TSHR (0.93) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL30421917 1.00 TSHR (0.93) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL30405167 1.00 TSHR (0.93) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL29013920 1.00 TSHR (0.93) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL19426881 1.00 TSHR (0.93) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL30405562 1.00 TSHR (0.93) TSHRMAOBMAOACYP2A6HTR2C
Cyclohexane SCHEMBL10948412 1.00 TSHR (0.93) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL16393911 1.00 TSHR (0.93) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL6290793 1.00 TSHR (0.93) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL30405390 1.00 TSHR (0.93) TSHRMAOBMAOACYP2A6HTR2C

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334637-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-01-04 — — EP disclosed
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 — — US disclosed
US-9249155-B2 Thieno [2, 3-D] pyrimidine derivatives and their use to treat arrhythmia XENTION LIMITED (GB) 2016-02-02 — — US disclosed
US-9216992-B2 Thieno[3,2-c]pyridine potassium channel inhibitors XENTION LIMITED (GB) 2015-12-22 — — US disclosed
EP-2694518-B1 THIENO[2,3-D]PYRIMIDINE DERIVATIVES AND THEIR USE TO TREAT ARRHYTHMIA XENTION LTD (GB) 2015-10-07 — — EP disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 — — US disclosed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 — — US disclosed
US-20150045305-A1 COMBINATION THERAPIES USING LATE SODIUM ION CHANNEL BLOCKERS AND POTASSIUM ION CHANNEL BLOCKERS GILEAD SCIENCES, INC. 2015-02-12 — — US disclosed
EP-2806865-A1 COMBINATION THERAPIES USING LATE SODIUM ION CHANNEL BLOCKERS AND POTASSIUM ION CHANNEL BLOCKERS Gilead Sciences, Inc. (US) 2014-12-03 — — EP disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 — — US disclosed
EP-1968982-A2 THIENO (3,2-C) PYRIDINE COMPOUNDS Xention Discovery Ltd. (GB) 2008-09-17 — — EP disclosed
US-20070161672-A1 Compounds XENTION LIMITED 2007-07-12 — — US disclosed
WO-2007066127-A2 THIENO ( 3 , 2-C) PYRIDINE COMPOUNDS XENTION LIMITED (GB) 2007-06-14 — — WO disclosed
EP-1758909-A1 FURANOPYRIMIDINE COMPOUNDS EFFECTIVE AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2007-03-07 — — EP disclosed
US-20060183768-A1 Compounds XENTION DISCOVERY LTD. (GB) 2006-08-17 — — US disclosed
EP-1641803-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS Xention Discovery Limited (GB) 2006-04-05 — — EP disclosed
WO-2005121149-A1 FURANOPYRIMIDINE COMPOUNDS EFFECTIVE AS POTASSIUM CHANNEL INHIBITORS XENTION DISCOVERY LIMITED (GB) 2005-12-22 — — WO disclosed
US-20050282829-A1 Furanopyrimidine compounds as potassium ion channel inhibitors XENTION DISCOVERY LTD. (GB) 2005-12-22 — — US disclosed
US-20050026935-A1 Compounds XENTION DISCOVERY LTD. 2005-02-03 — — US disclosed
WO-2004111057-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION DISCOVERY LIMITED (GB) 2004-12-23 — — 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 (7 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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 TSHR 809/4885MAOB 1218/4885MAOA 2414/4885
US-20150045305-A1 COMBINATION THERAPIES USING LATE SODIUM ION CHANNEL BLOCKERS AND POTASSIUM ION CHANNEL BLOCKERS KCNH1, KCNN3, KCNB2 TSHR 553/4885MAOB 805/4885MAOA 2067/4885
US-20060183768-A1 Compounds SCN7A, CBR3, SCN8A TSHR 164/4885MAOB 2294/4885MAOA 2713/4885
US-20050282829-A1 Furanopyrimidine compounds as potassium ion channel inhibitors KCNH3, HCN4, KCNH2 TSHR 505/4885MAOB 2934/4885MAOA 3521/4885
US-20050026935-A1 Compounds KCNJ11, KCNJ1, KCNH1 TSHR 2845/4885MAOB 1091/4885MAOA 1189/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 TSHR 809/4885MAOB 1218/4885MAOA 2414/4885
US-20070161672-A1 Compounds KCNJ2, KCNT1, KCNT2 TSHR 795/4885MAOB 3248/4885MAOA 3645/4885

“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.