SCHEMBL4815426

SCHEMBL4815426

O=C1CCc2cc(OCCN3CCOCC3)ccc21

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.79
MAPK14 Q16539 3/20 0.59
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
NPC1 O15118 1/20 0.56
HTR1A P08908 1/20 0.55
DRD4 P21917 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR7 P34969 1/20 0.55
DRD3 P35462 1/20 0.55
MAOB P27338 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54

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
SCHEMBL28624097 0.93 HRH3 (0.71) HRH3MAPK14KDM4EALDH1A1NPC1
SCHEMBL2316039 0.85 MAPK14 (0.61) HRH3MAPK14KDM4EALDH1A1NPC1
SCHEMBL8571844 0.84 KDM4E (0.62) HRH3MAPK14KDM4EALDH1A1NPC1
SCHEMBL5604414 0.84 KDM4E (0.62) MAPK14KDM4EALDH1A1NPC1CA12
Hydrochloric Acid SCHEMBL11606453 0.83 KDM4E (0.60) MAPK14KDM4EALDH1A1NPC1CA12
Hydrochloric Acid SCHEMBL11602807 0.83 KDM4E (0.60) MAPK14KDM4EALDH1A1NPC1CA12
SCHEMBL13254656 0.82 HRH3 (0.71) HRH3MAPK14KDM4EALDH1A1NPC1
SCHEMBL2318460 0.82 MAPK14 (0.67) HRH3MAPK14KDM4EALDH1A1
SCHEMBL14287616 0.82 HRH3 (0.87) HRH3MAOB
SCHEMBL6329923 0.82 HRH3 (1.00) HRH3HTR1ADRD4HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 HRH3 2235/4885MAPK14 349/4885KDM4E 1449/4885

“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.