SCHEMBL5098102

SCHEMBL5098102

NNC(=O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
P2RX7 Q99572 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
GLA P06280 1/20 0.53
TSHR P16473 1/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
EPHX2 P34913 1/20 0.51
LMNA P02545 1/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL22570461 0.81 ALDH1A1 (0.68) ALDH1A1P2RX7SMN1; SMN2KMT2AGLA
SCHEMBL14277228 0.80 MEN1 (0.50) ALDH1A1P2RX7KMT2AMEN1TSHR
SCHEMBL1677987 0.79 ALDH1A1 (1.00) ALDH1A1P2RX7SMN1; SMN2KMT2AMEN1
SCHEMBL23220348 0.79 ALDH1A1 (1.00) ALDH1A1P2RX7SMN1; SMN2KMT2AMEN1
SCHEMBL26334226 0.79 ALDH1A1 (0.66) ALDH1A1P2RX7SMN1; SMN2KMT2AMEN1
SCHEMBL18250772 0.78 ALDH1A1 (1.00) ALDH1A1P2RX7SMN1; SMN2KMT2AMEN1
SCHEMBL30927843 0.77 ALDH1A1 (0.66) ALDH1A1P2RX7SMN1; SMN2KMT2AMEN1
SCHEMBL6270532 0.77 ALDH1A1 (0.72) ALDH1A1P2RX7SMN1; SMN2KMT2AMEN1
SCHEMBL17993529 0.77 ALDH1A1 (0.59) ALDH1A1P2RX7SMN1; SMN2KMT2AGLA
SCHEMBL19966024 0.77 EPHX2 (0.77) ALDH1A1SMN1; SMN2KMT2AMEN1CYP3A4

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 11 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
EP-1474139-B1 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO INC (US) 2007-11-21 EP disclosed
EP-1474139-A4 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO INC (US) 2005-06-29 EP 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
EP-1474139-A2 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA Merck & Co., Inc. (US) 2004-11-10 EP disclosed
WO-2003065983-A2 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO., INC. (US) 2003-08-14 WO disclosed
EP-0002066-B1 2-ADAMANTYL HYDRAZINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Teva Pharmaceutical Industries Limited (IL) 1983-05-25 EP disclosed
US-4254128-A 2-Adamantyl hydrazines and biocidal compositions thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1981-03-03 US disclosed
EP-0002066-A1 2-Adamantyl hydrazines and pharmaceutical compositions containing them Teva Pharmaceutical Industries Limited (IL) 1979-05-30 EP 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 ALDH1A1 688/4885P2RX7 4725/4885SMN1; 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.