SCHEMBL5098628

SCHEMBL5098628

c1ccc(C2(c3nnc(C45CC6CC(CC(C6)C4)C5)n3C3CC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 14/20 0.46
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
HSD11B2 P80365 3/20 0.39
HTT P42858 1/20 0.35
HSD17B1 P14061 1/20 0.33
NR1I2 O75469 2/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 2/20 0.33
RAB9A P51151 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL5104964 0.78 HSD11B1 (0.66) HSD11B1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5145661 0.75 HSD11B1 (0.45) HSD11B1HTTHSD17B1TSHRSMN1; SMN2
SCHEMBL2667919 0.74 HSD11B1 (0.40) HSD11B1HSD17B1RAB9ASMN1; SMN2MEN1
SCHEMBL5638283 0.71 HSD11B1 (0.56) HSD11B1HSD11B2NR1I2CYP2C19
SCHEMBL14277183 0.71 HSD11B1 (0.49) HSD11B1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1108808 0.69 HSD11B1 (0.54) HSD11B1HSD11B2NR1I2
SCHEMBL5104767 0.69 HSD11B1 (0.46) HSD11B1HSD17B1RAB9AMEN1KMT2A
SCHEMBL5095869 0.69 HSD11B1 (0.39) HSD11B1HSD17B1RAB9AMEN1KMT2A
SCHEMBL2667915 0.67 HSD11B1 (0.39) HSD11B1HSD17B1RAB9ASMN1; SMN2MEN1
SCHEMBL5092152 0.67 HSD11B1 (0.60) HSD11B1HSD17B1RAB9ASMN1; SMN2MEN1

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 1/4885GRIN2D 1334/4885GRIN3B 1434/4885

“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.