SCHEMBL4813293

SCHEMBL4813293

[CH2]OCCCc1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2A6 P11509 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
MC4R P32245 2/20 0.42
MC5R P33032 2/20 0.42
SLC6A4 P31645 1/20 0.41
BCHE P06276 2/20 0.41
MC3R P41968 1/20 0.41
MC1R Q01726 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 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
SCHEMBL2093289 0.95 SIGMAR1 (0.53) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL2097301 0.93 SIGMAR1 (0.51) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL8500199 0.93 SIGMAR1 (0.51) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL2092581 0.89 CYP1A2 (0.50) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL6298407 0.85 SIGMAR1 (0.58) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL4625658 0.85 SIGMAR1 (0.58) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL5213383 0.82 SIGMAR1 (0.51) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL30418669 0.82 SIGMAR1 (0.68) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL30746339 0.82 SIGMAR1 (0.68) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL4813306 0.81 SIGMAR1 (0.59) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8

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 10 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
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 WO disclosed
US-6593335-B1 Disease than can be ameliorated with a potassium channel opener in a host mammal, comprising administering to the mammal in need thereof a therapeutically effective amount of the compound of claim 1; said disease is epilepsy, Raynaud's ABBOTT LABORATORIES 2003-07-15 US disclosed
EP-1250332-A1 INHIBITORS OF INTERLEUKIN 5 GENE EXPRESSION Abbott Laboratories (US) 2002-10-23 EP disclosed
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP disclosed
WO-2001044223-A1 INHIBITORS OF INTERLEUKIN 5 GENE EXPRESSION ABBOTT LABORATORIES (US) 2001-06-21 WO disclosed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 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 (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 SIGMAR1 3134/4885CYP1A2 2708/4885CYP2A6 3849/4885

“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.