SCHEMBL2326486

SCHEMBL2326486

CC1(C)[C@H]2CC[C@]1(C)c1nnc(C3CCC3)cc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RORC P51449 14/20 0.35
BCHE P06276 1/20 0.35
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
Ro-5027838 SCHEMBL2325156 0.95 ALDH1A1 (0.36) ALDH1A1HPGDHTTRORCBCHE
Ro-5027838 SCHEMBL2328744 0.95 ALDH1A1 (0.36) ALDH1A1HPGDHTTRORCBCHE
SCHEMBL16678323 0.78 LMNA (0.39) ALDH1A1HPGDHTTRORCBCHE
SCHEMBL16678325 0.78 LMNA (0.39) ALDH1A1HPGDHTTRORCBCHE
SCHEMBL2324559 0.77 ALDH1A1 (0.36) ALDH1A1HPGDHTTRORCBCHE
SCHEMBL4493430 0.76 ALDH1A1 (0.35) ALDH1A1HPGDHTTRORCBCHE
SCHEMBL11968315 0.76 ALDH1A1 (0.35) ALDH1A1HPGDHTTRORCBCHE
SCHEMBL11968216 0.76 LMNA (0.36) ALDH1A1HPGDHTTRORCBCHE
SCHEMBL4493682 0.76 LMNA (0.36) ALDH1A1HPGDHTTRORCBCHE
SCHEMBL4484600 0.76 ALDH1A1 (0.35) ALDH1A1HPGDHTTRORCBCHE

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-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP claimed
US-7678795-B2 Pyridazines as 11b-HSD1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US claimed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US claimed
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-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 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-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 ALDH1A1 91/4885HPGD 92/4885HTT 3917/4885

“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.