SCHEMBL3870833

SCHEMBL3870833

N#Cc1cnc(N2CCC(O)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
TYK2 P29597 2/20 0.43
JAK3 P52333 2/20 0.43
LRRK2 Q5S007 1/20 0.43
KCNMA1 Q12791 1/20 0.41
PARP1 P09874 2/20 0.41
TP53 P04637 1/20 0.40
GPR119 Q8TDV5 3/20 0.40
KCNH2 Q12809 2/20 0.40
PDE4D Q08499 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SMO Q99835 1/20 0.39
KDM1A O60341 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
AOC3 Q16853 1/20 0.38
CHRM5 P08912 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
SCHEMBL23073749 0.83 AR (0.46) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL12683338 0.80 ALDH1A1 (0.48) PARP1TP53LMNAKDM4EALDH1A1
SCHEMBL24126686 0.79 JAK2 (0.41) JAK2JAK1TYK2JAK3PARP1
SCHEMBL24962329 0.79 HRH4 (0.44) JAK2JAK1TYK2JAK3TP53
SCHEMBL12099334 0.79 GPR119 (0.55) JAK2JAK1TYK2JAK3GPR119
SCHEMBL26429922 0.78 ALDH1A1 (0.47) PARP1TP53LMNAKDM4EALDH1A1
SCHEMBL19864978 0.78 SMO (0.43) GPR119SMOLMNAHTTAOC3
SCHEMBL17712642 0.77 CHRM3 (0.45) CHRM5CHRM1CHRM3CHRM4
SCHEMBL26126580 0.77 CHRM4 (0.45) KCNH2CHRM5CHRM1CHRM3CHRM4
SCHEMBL24656049 0.77 AOC3 (0.42) JAK2JAK3PARP1SMOLMNA

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
CN-101641347-A Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme A delta-9 desaturase MERCK FROSST CANADA LTD CA 2010-02-03 CN disclosed
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 JAK2 4251/4885JAK1 3135/4885TYK2 2091/4885
US-20090270434-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 JAK2 4251/4885JAK1 3135/4885TYK2 2091/4885

“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.