SCHEMBL5092071

SCHEMBL5092071

c1ccc(Cn2c(-c3ccccc3)nnc2C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.63
OPRK1 P41145 1/20 0.42
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PDE6D O43924 1/20 0.40
ALDH2 P05091 1/20 0.40
ALDH3A1 P30838 1/20 0.40
KDM4E B2RXH2 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 3/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL5105050 0.92 HSD11B1 (0.54) HSD11B1OPRK1ALDH1A1TSHRSMN1; SMN2
SCHEMBL5098035 0.92 HSD11B1 (0.57) HSD11B1OPRK1GAAALDH1A1LMNA
SCHEMBL5098753 0.85 HSD11B1 (0.68) HSD11B1GAAL3MBTL1ALDH1A1LMNA
SCHEMBL5095890 0.83 HSD11B1 (0.69) HSD11B1ALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL5104544 0.82 HSD11B1 (0.60) HSD11B1GAAALDH1A1TSHRSMN1; SMN2
SCHEMBL5098135 0.82 HSD11B1 (0.60) HSD11B1L3MBTL1ALDH1A1KDM4ENPSR1
SCHEMBL14301956 0.82 HSD11B1 (0.60) HSD11B1L3MBTL1ALDH1A1LMNATSHR
SCHEMBL5098106 0.81 HSD11B1 (0.66) HSD11B1ALDH1A1TSHRKDM4EHPGD
SCHEMBL5098790 0.80 HSD17B10 (0.46) HSD11B1OPRK1GAAL3MBTL1ALDH1A1
SCHEMBL5104962 0.80 HSD11B1 (0.57) HSD11B1ALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885OPRK1 936/4885GAA 1127/4885

“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.