SCHEMBL3929381

SCHEMBL3929381

CC(C)(C)Cc1cc2c(nn1)CCCCCC2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.37
HTR2B P41595 3/20 0.37
GAA P10253 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
HIF1A Q16665 1/20 0.31
SLC9A1 P19634 1/20 0.30

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
SCHEMBL12826129 0.80 HTR2C (0.40) HTR2CHTR2BGAAKDM4EALDH1A1
SCHEMBL24835481 0.78 HTR2C (0.41) HTR2CHTR2BGAAKDM4EALDH1A1
SCHEMBL12744598 0.73 GAA (0.34) GAAALDH1A1SLC9A1
SCHEMBL11955017 0.71 ADRA2A (0.40) GAAKDM4EALDH1A1HTTHIF1A
SCHEMBL3939650 0.71 ALDH1A1 (0.32) ALDH1A1HTT
SCHEMBL17816237 0.71 GAA (0.35) HTR2CGAAKDM4E
SCHEMBL15127500 0.70 TSHR (0.44) GAAKDM4EALDH1A1HTTHIF1A
SCHEMBL25771778 0.70 TSHR (0.44) GAAKDM4EALDH1A1HTTHIF1A
SCHEMBL25060986 0.69 HTR2C (0.42) HTR2CHTR2BGAASLC9A1
SCHEMBL21389520 0.67 GAA (0.38) HTR2CHTR2BGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044034-B1 ALKYL-PYRIDAZINE DERIVATIVES AS INHIBITORS OF 11 BETA HYDROXYSTEROID DEHYDROGENASE TYPE 1(11B-HSD 1) HOFFMANN LA ROCHE (CH) 2012-08-22 EP claimed
US-7547697-B2 Alkyl-pyridazine derivatives as 11b-HSD1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2009-06-16 US claimed
EP-2044034-A1 ALKYL-PYRIDAZINE DERIVATIVES AS INHIBITORS OF 11 BETA HYDROXYSTEROID DEHYDROGENASE TYPE 1(11B-HSD 1) F. Hoffmann-Roche AG (CH) 2009-04-08 EP claimed
WO-2008003611-A1 ALKYL-PYRIDAZINE DERIVATIVES AS INHIBITORS OF 11 BETA HYDROXYSTEROID DEHYDROGENASE TYPE 1(11B-HSD 1) F. HOFFMANN-LA ROCHE AG (CH) 2008-01-10 WO claimed
US-20080009499-A1 Alkyl-pyridazine derivatives as 11b-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2008-01-10 US claimed
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
EP-2044034-B1 ALKYL-PYRIDAZINE DERIVATIVES AS INHIBITORS OF 11 BETA HYDROXYSTEROID DEHYDROGENASE TYPE 1(11B-HSD 1) HOFFMANN LA ROCHE (CH) 2012-08-22 EP disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7547697-B2 Alkyl-pyridazine derivatives as 11b-HSD1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2009-06-16 US disclosed
EP-2044034-A1 ALKYL-PYRIDAZINE DERIVATIVES AS INHIBITORS OF 11 BETA HYDROXYSTEROID DEHYDROGENASE TYPE 1(11B-HSD 1) F. Hoffmann-Roche AG (CH) 2009-04-08 EP disclosed
WO-2008003611-A1 ALKYL-PYRIDAZINE DERIVATIVES AS INHIBITORS OF 11 BETA HYDROXYSTEROID DEHYDROGENASE TYPE 1(11B-HSD 1) F. HOFFMANN-LA ROCHE AG (CH) 2008-01-10 WO disclosed
US-20080009499-A1 Alkyl-pyridazine derivatives as 11b-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2008-01-10 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 (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-20080009499-A1 Alkyl-pyridazine derivatives as 11b-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 HTR2C 380/4885HTR2B 188/4885GAA 1847/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 HTR2C 2009/4885HTR2B 823/4885GAA 1054/4885

“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.