Sugi Predict

Sugi Predict / Compounds / SCHEMBL5145661

SCHEMBL5145661

SCHEMBL5145661

c1ccc(Cc2nnc(C34CC5CC(CC(C5)C3)C4)n2C2CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 5/20 0.45
▸ OPRK1 P41145 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ HTT P42858 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CCR5 P51681 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSD17B1 P14061 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
SCHEMBL5095815 0.81 HSD11B1 (0.60) HSD11B1OPRK1HTTALDH1A1MEN1
SCHEMBL5098140 0.79 HSD11B1 (0.63) HSD11B1TSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL5092152 0.77 HSD11B1 (0.60) HSD11B1SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL5092262 0.77 HSD11B1 (0.44) HSD11B1OPRK1TSHRHTTSMN1; SMN2
SCHEMBL5104964 0.77 HSD11B1 (0.66) HSD11B1OPRK1TSHRHTTSMN1; SMN2
SCHEMBL5091975 0.76 HSD11B1 (0.44) HSD11B1GAAMEN1TP53KMT2A
SCHEMBL5091998 0.75 HSD11B1 (0.65) HSD11B1SMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL5098628 0.75 HSD11B1 (0.46) HSD11B1TSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL5095914 0.73 HSD11B1 (0.55) HSD11B1SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL2667916 0.72 HSD11B1 (0.41) HSD11B1GAAHSD17B1

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 936/4885TSHR 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.