SCHEMBL3789080

SCHEMBL3789080

CC(C)(C)OC(=O)N1CCC[C@H]2CNC[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.38
PREP P48147 1/20 0.38
UCHL1 P09936 1/20 0.37

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
SCHEMBL17053036 1.00 HSD17B10 (0.45) HSD17B10SMN1; SMN2NR1H2NR1H3NPC1
SCHEMBL1982884 1.00 HSD17B10 (0.45) HSD17B10SMN1; SMN2NR1H2NR1H3NPC1
SCHEMBL2095212 1.00 HSD17B10 (0.45) HSD17B10SMN1; SMN2NR1H2NR1H3NPC1
SCHEMBL1983358 1.00 HSD17B10 (0.45) HSD17B10SMN1; SMN2NR1H2NR1H3NPC1
SCHEMBL6983332 1.00 HSD17B10 (0.45) HSD17B10SMN1; SMN2NR1H2NR1H3NPC1
SCHEMBL23654034 1.00 HSD17B10 (0.45) HSD17B10SMN1; SMN2NR1H2NR1H3NPC1
SCHEMBL18428250 0.96 NR1H2 (0.43) HSD17B10SMN1; SMN2NR1H2NR1H3NPC1
SCHEMBL1135308 0.91 GPR119 (0.39) HSD17B10NR1H2NR1H3HPGD
SCHEMBL3697263 0.91 GPR119 (0.39) HSD17B10NR1H2NR1H3HPGD
SCHEMBL2411163 0.91 GPR119 (0.39) HSD17B10NR1H2NR1H3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796297-B2 4-substituted-2-amino-pyrimidine derivatives ABBVIE INC. (US) 2014-08-05 US disclosed
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 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-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES HRH2, HRH4, HRH3 HSD17B10 3863/4885SMN1; SMN2 2514/4885NR1H2 360/4885

“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.