SCHEMBL4497824

SCHEMBL4497824

CC(C)CCc1cc2c(nn1)[C@@]1(C)CC[C@@H]2C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
RORC P51449 4/20 0.32
BCHE P06276 1/20 0.32
GAA P10253 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL4503981 0.82 LMNA (0.32) LMNASMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL4490009 0.80 ALDH1A1 (0.34) LMNASMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL1548856 0.80 ALDH1A1 (0.34) LMNASMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL4481346 0.78 ALDH1A1 (0.33) LMNASMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL11968287 0.78 ALDH1A1 (0.33) LMNASMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL4489507 0.77 LMNA (0.33) LMNASMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL2325865 0.77 LMNA (0.50) LMNASMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL11968216 0.76 LMNA (0.36) LMNASMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL16678325 0.73 LMNA (0.39) LMNASMN1; SMN2ALDH1A1HPGDHTT
Ro-5027838 SCHEMBL2328744 0.72 ALDH1A1 (0.36) LMNASMN1; SMN2ALDH1A1HPGDHTT

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 LMNA 1965/4885SMN1; SMN2 2574/4885ALDH1A1 97/4885

“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.