SCHEMBL3892207

SCHEMBL3892207

O=C(O)Cn1nnc(-c2cnc(N3CCC(O)CC3)nc2)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
AOC3 Q16853 3/20 0.42
RAB9A P51151 2/20 0.42
SCD O00767 7/20 0.42
RECQL P46063 1/20 0.41
HPGD P15428 1/20 0.39
JAK2 O60674 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL16501425 0.84 HPGD (0.45) MEN1KMT2ARAB9ASCDRECQL
Hydrochloric Acid SCHEMBL16496763 0.83 MEN1 (0.46) MEN1KMT2ARAB9ASCDRECQL
SCHEMBL13261634 0.80 MEN1 (0.48) MEN1KMT2ARAB9ASCD
SCHEMBL16501411 0.79 SLC6A7 (0.52) MEN1KMT2ARAB9ASCDHPGD
SCHEMBL13261630 0.79 SCD (0.46) MEN1KMT2ASCD
SCHEMBL13261624 0.79 MEN1 (0.44) MEN1KMT2ARAB9ASCDRECQL
SCHEMBL13261637 0.78 SCD (0.45) MEN1KMT2ASCD
SCHEMBL13261243 0.77 SCD (0.53) MEN1KMT2ASCD
SCHEMBL4492101 0.77 SCD (0.57) SCD
SCHEMBL13261299 0.77 SCD (0.44) MEN1KMT2ARAB9ASCDHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270434-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE LEBLANC YVES 2009-10-29 US disclosed
EP-2108015-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-10-14 EP disclosed
US-7582633-B2 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA L.L.C. (CA) 2009-09-01 US disclosed
US-20080182838-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK CANADA INC. (CA) 2008-07-31 US disclosed
WO-2008089580-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-07-31 WO 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-20080182838-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase SCD, SCD5, SREBF1 MEN1 4567/4885KMT2A 3016/4885AOC3 2919/4885
US-20090270434-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 MEN1 4567/4885KMT2A 3016/4885AOC3 2919/4885

“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.