SCHEMBL4493430

SCHEMBL4493430

CC(C)(C)c1cc2c(nn1)[C@@]1(C)CC[C@@H]2C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
BCHE P06276 1/20 0.35
GAA P10253 1/20 0.34
RORC P51449 10/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NR1I2 O75469 1/20 0.31

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
SCHEMBL4484600 1.00 ALDH1A1 (0.35) ALDH1A1HPGDHTTBCHEGAA
SCHEMBL11968315 1.00 ALDH1A1 (0.35) ALDH1A1HPGDHTTBCHEGAA
SCHEMBL4493017 0.78 ALDH1A1 (0.33) ALDH1A1HPGDHTTBCHEGAA
SCHEMBL11968287 0.78 ALDH1A1 (0.33) ALDH1A1HPGDHTTBCHEGAA
SCHEMBL4481346 0.78 ALDH1A1 (0.33) ALDH1A1HPGDHTTBCHEGAA
SCHEMBL16678325 0.78 LMNA (0.39) ALDH1A1HPGDHTTBCHEGAA
SCHEMBL16678323 0.78 LMNA (0.39) ALDH1A1HPGDHTTBCHEGAA
SCHEMBL2324559 0.77 ALDH1A1 (0.36) ALDH1A1HPGDHTTBCHEGAA
Ro-5027838 SCHEMBL2328744 0.77 ALDH1A1 (0.36) ALDH1A1HPGDHTTBCHEGAA
SCHEMBL4503981 0.76 LMNA (0.32) ALDH1A1HPGDHTTBCHEGAA

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 6 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
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
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 97/4885HPGD 76/4885HTT 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.