SCHEMBL1383162

SCHEMBL1383162

C/C=C/C=C/C=C/CCCC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
ALDH1A1 P00352 2/20 0.54
FASN P49327 1/20 0.42
SOAT1 P35610 1/20 0.39
FAAH O00519 4/20 0.36
TRPV1 Q8NER1 2/20 0.36
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
CNR1 P21554 5/20 0.35
CNR2 P34972 5/20 0.35
KDM4E B2RXH2 1/20 0.35
TRPA1 O75762 1/20 0.34

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
SCHEMBL1383163 1.00 TSHR (0.54) TSHRALDH1A1FASNSOAT1FAAH
SCHEMBL31587459 1.00 TSHR (0.54) TSHRALDH1A1FASNSOAT1FAAH
Hydrochloric Acid SCHEMBL28814252 0.97 TSHR (0.52) TSHRALDH1A1FASNSOAT1FAAH
SCHEMBL574186 0.97
SCHEMBL6473565 0.97
SCHEMBL6473479 0.97
SCHEMBL574187 0.97
SCHEMBL6479729 0.97
SCHEMBL2915027 0.92 ALDH1A1 (0.64) TSHRALDH1A1FASNSOAT1FAAH
SCHEMBL2915024 0.92 ALDH1A1 (0.64) TSHRALDH1A1FASNSOAT1FAAH

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 17 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
JP-4787321-B2 2011-10-05 JP claimed
EP-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP 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
EP-1904455-A2 PYRIDAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-04-02 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
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 WO claimed
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
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
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
EP-1904455-A2 PYRIDAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-04-02 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
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US disclosed
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 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-20080009499-A1 Alkyl-pyridazine derivatives as 11b-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 TSHR 2274/4885ALDH1A1 97/4885FASN 395/4885
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 TSHR 1422/4885ALDH1A1 91/4885FASN 930/4885

“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.