SCHEMBL13855657

SCHEMBL13855657

CC(C)(C)N1CCC(Oc2cccc3ccccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
PDE10A Q9Y233 1/20 0.46
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
HRH3 Q9Y5N1 4/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TACR3 P29371 1/20 0.41
KCNH2 Q12809 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
MAPK14 Q16539 2/20 0.40
S1PR5 Q9H228 1/20 0.40

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
SCHEMBL11066008 0.84 NOS3 (0.51) PDE3BPDE3APDE10ADRD2DRD4
SCHEMBL16902862 0.82 MEN1 (0.51) PDE3BPDE3APDE10ADRD2DRD4
SCHEMBL13855681 0.81 SCD (0.47) PDE10AKMT2A
SCHEMBL13855675 0.81 EPHX2 (0.46) PDE3BPDE3APDE10A
SCHEMBL13855667 0.80 RBP4 (0.55) KDM4EALDH1A1HSD17B10
SCHEMBL13855656 0.80 SCD (0.41) KDM4EALDH1A1KMT2AKCNH2MAPK14
SCHEMBL5454387 0.79 GPR119 (0.57) KDM4E
SCHEMBL13855670 0.78 SMN1; SMN2 (0.60) KDM4EALDH1A1KCNH2MAPK14
SCHEMBL13855680 0.78 HRH1 (0.46) KDM4EHSD17B10L3MBTL1KCNH2MAPK14
SCHEMBL16789532 0.77 MCHR1 (0.54) DRD2DRD4HRH3MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118296-A1 Heteroaromatic Compounds As Inhibitors Of Stearoyl-Coenzyme A Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-05-07 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-20090118296-A1 Heteroaromatic Compounds As Inhibitors Of Stearoyl-Coenzyme A Delta-9 Desaturase SCD, SCD5, SREBF1 PDE3B 3906/4885PDE3A 3882/4885PDE10A 3878/4885

“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.