SCHEMBL3939650

SCHEMBL3939650

CC(C)(C)Cc1cc2c(nn1)CC(C)(C)C2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL4496996 0.74 ALDH1A1 (0.35) ALDH1A1HTT
SCHEMBL3929381 0.71 HTR2C (0.37) ALDH1A1HTT
SCHEMBL21324871 0.62 ESR1 (0.39)
SCHEMBL4495190 0.60
SCHEMBL23273320 0.59
SCHEMBL24389273 0.58 ALDH1A1 (0.36) ALDH1A1HTT
SCHEMBL4498641 0.58 LMNA (0.36) ALDH1A1HTT
SCHEMBL24388845 0.58 CYP11B2 (0.40) ALDH1A1HTT
SCHEMBL1549418 0.58
SCHEMBL24388820 0.57 CYP11B2 (0.36) ALDH1A1HTT

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-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
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-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 (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-20080009499-A1 Alkyl-pyridazine derivatives as 11b-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 ALDH1A1 97/4885HTT 3930/4885

“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.