Fig 1

Fig 1

SCHEMBL5095865

Cn1c(-c2ccccc2)nnc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 1.00
NR1I2 O75469 1/20 0.46
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
DRD2 P14416 1/20 0.39

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
SCHEMBL5092195 0.88 HSD11B1 (0.78) HSD11B1NR1I2SMN1; SMN2HTT
SCHEMBL5104997 0.87 HSD11B1 (0.77) HSD11B1
SCHEMBL5105117 0.85 HSD11B1 (0.74) HSD11B1TSHR
SCHEMBL5098612 0.85 HSD11B1 (0.74) HSD11B1NR1I2
SCHEMBL5095896 0.85 HSD11B1 (0.74) HSD11B1NR1I2
SCHEMBL14301752 0.85 HSD11B1 (0.74) HSD11B1NR1I2
SCHEMBL5092167 0.84 HSD11B1 (0.71) HSD11B1NR1I2
SCHEMBL5104995 0.83 HSD11B1 (0.71) HSD11B1NR1I2MAPK1
SCHEMBL5095961 0.83 HSD11B1 (0.71) HSD11B1DRD2
SCHEMBL5098044 0.83 HSD11B1 (0.71) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894054-B2 FXR agonist compositions for combination therapy INTERCEPT PHARMACEUTICALS, INC. (US) 2021-01-19 US disclosed
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-20180117065-A1 PHARMACEUTICAL COMPOSITIONS FOR COMBINATION THERAPY INTERCEPT PHARMACEUTICALS, INC. 2018-05-03 US disclosed
US-20180117065-A1 PHARMACEUTICAL COMPOSITIONS FOR COMBINATION THERAPY INTERCEPT PHARMACEUTICALS, INC. 2018-05-03 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-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-20070099884-A1 Combination therapy for the treatment of diabetes MERCK & CO., INC. 2007-05-03 US disclosed
US-20070099884-A1 Combination therapy for the treatment of diabetes MERCK & CO., INC. 2007-05-03 US disclosed
US-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME CORP. 2005-03-31 US disclosed
WO-2004110375-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES MERCK & CO., INC. (US) 2004-12-23 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 (6 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 2/4885NR1I2 62/4885TSHR 3476/4885
US-10894054-B2 FXR agonist compositions for combination therapy GPR119, FXR1, NR1H4 HSD11B1 241/4885NR1I2 64/4885TSHR 357/4885
US-20170232007-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS HSD3B1, HSD11B1, HSD3B2 HSD11B1 2/4885NR1I2 62/4885TSHR 3476/4885
US-20180117065-A1 PHARMACEUTICAL COMPOSITIONS FOR COMBINATION THERAPY GPR119, FABP1, SLC10A1 HSD11B1 214/4885NR1I2 149/4885TSHR 833/4885
US-20070099884-A1 Combination therapy for the treatment of diabetes GPR119, FABP4, IAPP HSD11B1 412/4885NR1I2 2476/4885TSHR 4250/4885
US-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885NR1I2 129/4885TSHR 2731/4885

“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.