SCHEMBL5098036

SCHEMBL5098036

CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ NTSR1 P30989 1/20 0.31
▸ HSD11B1 P28845 2/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL5635815 0.72 TSHR (0.37) TSHRSMN1; SMN2ADORA1ALDH1A1KDM4E
SCHEMBL5098119 0.67 ALDH1A1 (0.46) L3MBTL1ALDH1A1KDM4EHSD11B1
SCHEMBL5139207 0.64 HSD11B1 (0.39) TSHRSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL11066997 0.62 MAPT (0.36) TSHRADORA1ALDH1A1MAPT
SCHEMBL6496549 0.62 SMN1; SMN2 (0.37) TSHRSMN1; SMN2ADORA1ALDH1A1KDM4E
SCHEMBL27173141 0.60 MEN1 (0.40) TSHRSMN1; SMN2ADORA1ALDH1A1KDM4E
SCHEMBL5095918 0.60 HSD11B1 (0.51) L3MBTL1SMN1; SMN2ALDH1A1RAB9AHSD11B1
SCHEMBL6959750 0.58 — —
SCHEMBL4872720 0.57 HSD11B1 (0.43) TSHRSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL5092143 0.56 HSD11B1 (0.62) TSHRSMN1; SMN2ALDH1A1MAPTRAB9A

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 TSHR 2731/4885L3MBTL1 1964/4885SMN1; SMN2 4455/4885

“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.

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