SCHEMBL2329613

SCHEMBL2329613

O=C(C(=O)C1CC1)C1CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.67
CES1 P23141 1/20 0.67
HPGD P15428 1/20 0.36
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CHRNB2 P17787 6/20 0.33
CHRNA3 P32297 6/20 0.33
CHRNA4 P43681 6/20 0.33
CHRNB3 Q05901 3/20 0.33
CHRNA6 Q15825 3/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA7 P36544 2/20 0.33
NOS2 P35228 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33

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
SCHEMBL1041539 0.89 CES2 (0.87) CES2CES1HPGDMAPTCHRNB2
SCHEMBL145439 0.89 CES2 (0.75) CES2CES1HPGDLMNAMAPT
SCHEMBL8795663 0.86 CES2 (0.93) CES2CES1HPGDMAPTTSHR
SCHEMBL12329512 0.84 CES2 (0.80) CES2CES1HPGDLMNAMAPT
SCHEMBL3071715 0.81 CES2 (1.00) CES2CES1MAPTTSHRHDAC8
SCHEMBL11839162 0.81 CES2 (1.00) CES2CES1MAPTTSHRHDAC8
SCHEMBL873565 0.81
SCHEMBL8709138 0.81 CES2 (1.00) CES2CES1MAPTTSHRHDAC8
SCHEMBL5258023 0.81 CES2 (1.00) CES2CES1MAPTTSHRHDAC8
SCHEMBL2468568 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP disclosed
US-7678795-B2 Pyridazines as 11b-HSD1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1904455-A2 PYRIDAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-04-02 EP disclosed
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 WO disclosed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 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-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 CES2 866/4885CES1 105/4885HPGD 92/4885

“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.