SCHEMBL5322116

SCHEMBL5322116

C#CCOCCN1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.41
LTA4H P09960 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5327291 0.98 HRH3 (0.44) HRH3LTA4HMAPTTSHR
SCHEMBL24533526 0.96 KDM4E (0.40) HRH3LTA4HMAPTKDM4EHTT
SCHEMBL24533491 0.91 HRH3 (0.43) HRH3MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL22047859 0.85 KDM4E (0.38) HRH3KDM4EALDH1A1
SCHEMBL7304959 0.82 POLB (0.42) HRH3LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL22777137 0.82 TSHR (0.32) TSHRCYP1A2CYP2D6
SCHEMBL13773 0.82 POLB (0.45) HRH3TSHRCYP1A2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7311470 0.80 POLB (0.41) HRH3LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL23100650 0.79 KDM4E (0.36) MAPTTSHRKDM4EHTTALDH1A1
SCHEMBL22777240 0.79 CHRM2 (0.35) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827423-B1 FUNCTIONALIZED CHAIN EXTENDED INITIATORS FOR ANIONIC POLYMERIZATION FMC CORP (US) 2007-12-12 EP claimed
US-20160152634-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2016-06-02 US disclosed
US-9290511-B2 Thieno-pyrimidines, useful as potassium channel inhibitors XENTION LIMITED (GB) 2016-03-22 US disclosed
US-20140371203-A1 Thieno- and furo - pyrimidines and pyridines, useful as potassium channel inhibitors XENTION LIMITED (GB) 2014-12-18 US disclosed
EP-2780343-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2014-09-24 EP disclosed
WO-2013072694-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2013-05-23 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 (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-20140371203-A1 Thieno- and furo - pyrimidines and pyridines, useful as potassium channel inhibitors KCNA3, KCNJ1, KCNJ11 HRH3 199/4885LTA4H 1176/4885MAPT 2780/4885
US-20160152634-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS KCNA3, KCNJ1, KCNJ11 HRH3 200/4885LTA4H 1126/4885MAPT 2726/4885

“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.