SCHEMBL3322979

SCHEMBL3322979

CN(Cc1cccs1)C(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 1.00
CYP3A4 P08684 4/20 1.00
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
RIPK1 Q13546 1/20 0.49

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
SCHEMBL3322601 0.90 HSD11B1 (1.00) HSD11B1CYP3A4CYP2D6CYP2C9KMT2A
SCHEMBL3320994 0.88 HSD11B1 (0.78) HSD11B1CYP3A4CYP2D6CYP2C9KMT2A
SCHEMBL3321956 0.86 HSD11B1 (1.00) HSD11B1CYP3A4CYP2D6CYP2C9KMT2A
SCHEMBL3325046 0.84 HSD11B1 (0.73) HSD11B1CYP3A4KMT2AMEN1
SCHEMBL3324080 0.83 HSD11B1 (0.71) HSD11B1CYP3A4CYP2D6CYP2C9KMT2A
SCHEMBL13333206 0.82 HSD11B1 (0.69) HSD11B1CYP3A4CYP2D6CYP2C9KMT2A
SCHEMBL3327910 0.82 HSD11B1 (1.00) HSD11B1CYP3A4CYP2D6CYP2C9KMT2A
Hydrochloric Acid SCHEMBL3325106 0.81 HSD11B1 (0.67) HSD11B1CYP3A4CYP2D6CYP2C9KMT2A
SCHEMBL3321381 0.80 HSD11B1 (0.66) HSD11B1CYP3A4KMT2AMEN1
SCHEMBL3320839 0.79 HSD11B1 (0.69) HSD11B1CYP3A4CYP2D6CYP2C9KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10039772-B2 Methods and compositions for treating alcohol use disorders SANNA PIETRO PAOLO (US) 2018-08-07 US disclosed
US-10039772-B2 Methods and compositions for treating alcohol use disorders SANNA PIETRO PAOLO (US) 2018-08-07 US disclosed
US-20170232007-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS SANNA PIETRO PAOLO (US) 2017-08-17 US disclosed
US-20170232007-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS SANNA PIETRO PAOLO (US) 2017-08-17 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
EP-1861384-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2007-12-05 EP disclosed
WO-2006100502-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2006-09-28 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 (4 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-10039772-B2 Methods and compositions for treating alcohol use disorders HSD3B1, HSD11B1, HSD3B2 HSD11B1 2/4885CYP3A4 133/4885CYP2D6 193/4885
US-20170232007-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS HSD3B1, HSD11B1, HSD3B2 HSD11B1 2/4885CYP3A4 133/4885CYP2D6 193/4885
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 HSD11B1 3/4885CYP3A4 72/4885CYP2D6 108/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 HSD11B1 73/4885CYP3A4 100/4885CYP2D6 228/4885

“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.