SCHEMBL3245089

SCHEMBL3245089

O=S(=O)(c1ccccc1F)N1CCCNCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.60
CYP2D6 P10635 3/20 0.60
MYLK Q15746 3/20 0.60
KMT2A Q03164 3/20 0.60
TP53 P04637 2/20 0.60
CYP1A2 P05177 2/20 0.60
NFKB1 P19838 2/20 0.60
MAPK1 P28482 2/20 0.60
MEN1 O00255 2/20 0.60
CYP2C9 P11712 2/20 0.60
ROCK1 Q13464 5/20 0.59
TSHR P16473 3/20 0.59
GMNN O75496 2/20 0.59
LMNA P02545 2/20 0.59
CYP2C19 P33261 2/20 0.59
MTOR P42345 1/20 0.59
RAB9A P51151 1/20 0.59
MAPT P10636 1/20 0.59
PMP22 Q01453 1/20 0.59
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL30754653 0.94 KMT2A (0.56) CYP3A4CYP2D6MYLKKMT2ATP53
Hydrochloric Acid SCHEMBL1180519 0.92 KMT2A (0.55) CYP3A4CYP2D6MYLKKMT2ATP53
SCHEMBL14489596 0.85 TSHR (0.71) CYP3A4KMT2AMEN1CYP2C9TSHR
SCHEMBL20145597 0.84 TSHR (0.75) CYP3A4KMT2AMEN1CYP2C9TSHR
SCHEMBL3244492 0.83 CYP3A4 (0.74) CYP3A4CYP2D6MYLKKMT2ATP53
SCHEMBL8660259 0.79 CYP3A4 (0.58) CYP3A4CYP2D6MYLKKMT2ATP53
SCHEMBL9281354 0.79 CYP3A4 (0.73) CYP3A4CYP2D6MYLKKMT2ATP53
SCHEMBL6973412 0.78 ALDH1A1 (0.60) CYP3A4CYP2D6MYLKKMT2ATP53
SCHEMBL7811519 0.77 ROCK2 (0.66) CYP3A4CYP2D6MYLKKMT2ATP53
SCHEMBL13299814 0.76 ALDH1A1 (0.48) CYP3A4CYP2D6MYLKKMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586577-B2 Diazepane acetamide derivatives as selective 11B-HSD1 inhibitors MERCK PATENT GMBH (DE) 2013-11-19 US disclosed
US-20120283247-A1 DIAZEPANE ACETAMIDE DERIVATIVES AS SELECTIVE 11B-HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2012-11-08 US disclosed
US-8242107-B2 Diazepane-acetamide derivatives as selective 11β-HSD1 inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-08-14 US disclosed
EP-2078001-B8 DIAZEPANE-ACETAMIDE DERIVATIVES AS SELECTIVE 11 -HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2010-12-15 EP disclosed
EP-2078001-B1 DIAZEPANE-ACETAMIDE DERIVATIVES AS SELECTIVE 11 -HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2010-05-12 EP disclosed
US-20100069365-A1 Diazepane-acetamide derivatives as selective 11B-HSD1 inhibitors MERCK PATENT GMBH (DE) 2010-03-18 US disclosed
EP-2078001-A1 DIAZEPANE-ACETAMIDE DERIVATIVES AS SELECTIVE 11 -HSD1 INHIBITORS Merk Patent Gmbh (DE) 2009-07-15 EP disclosed
WO-2008052638-A1 DIAZEPANE-ACETAMIDE DERIVATIVES AS SELECTIVE 11β-HSD1 INHIBITORS MERK PATENT GMBH (DE) 2008-05-08 WO disclosed
EP-1918285-A1 Diazepane-acetamide derivatives as selective 11beta-HSD1 inhibitors Merck Sante (FR) 2008-05-07 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 (2 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-20100069365-A1 Diazepane-acetamide derivatives as selective 11B-HSD1 inhibitors HSD11B1, HSD11B2, HSD17B1 CYP3A4 285/4885CYP2D6 357/4885MYLK 3184/4885
US-20120283247-A1 DIAZEPANE ACETAMIDE DERIVATIVES AS SELECTIVE 11B-HSD1 INHIBITORS HSD11B1, HSD11B2, HSD17B1 CYP3A4 336/4885CYP2D6 400/4885MYLK 3386/4885

“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.