SCHEMBL4401806

SCHEMBL4401806

Cc1c(C(=O)NC2[C@@H]3CC4C[C@H]2CC(O)(C4)C3)oc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
HSD11B1 P28845 11/20 0.49
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
CASP3 P42574 1/20 0.45
KMT2A Q03164 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL14260939 1.00 NPC1 (0.55) NPC1RAB9AHSD11B1LMNAMAPT
SCHEMBL4401808 0.84 HSD11B1 (0.51) HSD11B1
SCHEMBL1761568 0.82 NPC1 (0.57) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL13431303 0.79 MAPK8 (0.46) HSD11B1LMNAMAPTL3MBTL1
SCHEMBL4410964 0.77 HSD11B1 (0.53) HSD11B1
SCHEMBL14479243 0.77 NPC1 (0.54) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL14260982 0.75 RAB9A (0.54) NPC1RAB9AHSD11B1MAPTSMN1; SMN2
SCHEMBL4410950 0.75 RAB9A (0.54) NPC1RAB9AHSD11B1MAPTSMN1; SMN2
SCHEMBL1156414 0.74 NPC1 (0.90) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL1675970 0.74 HSD11B1 (0.57) HSD11B1KMT2A

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
US-8344181-B2 Obesity, type 2 diabetes, hyperlipidemia, hypertension, arteriosclerosis, coronary heart diseases JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-01 US claimed
EP-1796657-B1 N-2 ADAMANTANYL-2-PHENOXY-ACETAMIDE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-12-23 EP claimed
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 claimed
US-8344181-B2 Obesity, type 2 diabetes, hyperlipidemia, hypertension, arteriosclerosis, coronary heart diseases JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-01 US disclosed
EP-1796657-B1 N-2 ADAMANTANYL-2-PHENOXY-ACETAMIDE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-12-23 EP 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 NPC1 519/4885RAB9A 3388/4885HSD11B1 3/4885

“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.