SCHEMBL2125504

SCHEMBL2125504

O=C(COc1ccccc1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
KMT2A Q03164 5/20 0.64
MEN1 O00255 3/20 0.64
HPGD P15428 2/20 0.62
TSHR P16473 1/20 0.62
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
FAAH O00519 3/20 0.57
CNR2 P34972 2/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MAPK1 P28482 2/20 0.55
EPHX2 P34913 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL3457076 0.85 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1HPGDTSHR
SCHEMBL14829261 0.85 MEN1 (0.67) ALDH1A1KMT2AMEN1HPGDTSHR
SCHEMBL3455269 0.84 MEN1 (0.64) ALDH1A1KMT2AMEN1HPGDTSHR
SCHEMBL23149159 0.83 ATF4 (0.71) KMT2AMEN1HPGDLMNANPC1
SCHEMBL1758671 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1HPGDTSHR
SCHEMBL4400605 0.81 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1HPGDTSHR
SCHEMBL4223078 0.80 EPHX2 (0.71) ALDH1A1KMT2AMEN1HPGDKDM4E
SCHEMBL1420777 0.78 FAAH (0.61) ALDH1A1KMT2AMEN1HPGDTSHR
SCHEMBL20998386 0.78 ATF4 (0.64) KMT2AMEN1HPGDHTTNPC1
SCHEMBL19798449 0.77 KMT2A (0.72) ALDH1A1KMT2AMEN1HTTFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2269977-B1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBVIE INC (US) 2016-04-27 EP disclosed
CN-101300005-B N-2 adamantyl-2-phenoxy-acetamide derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV 2013-05-01 CN disclosed
US-8344181-B2 Obesity, type 2 diabetes, hyperlipidemia, hypertension, arteriosclerosis, coronary heart diseases JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-01 US disclosed
EP-1846363-B1 ADAMANTYL DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LAB (US) 2012-04-25 EP disclosed
CN-101300005-A N-2 adamantyl-2-phenoxy-acetamide derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2008-11-05 CN disclosed
US-20080064693-A1 N-2 Adamantanyl-2-Phenoxy-Acetamide Derivatives as 11-Beta Hydroxysteroid Dehydrogenase Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-13 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-20080064693-A1 N-2 Adamantanyl-2-Phenoxy-Acetamide Derivatives as 11-Beta Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 ALDH1A1 410/4885KMT2A 2781/4885MEN1 2852/4885

“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.