SCHEMBL408799

SCHEMBL408799

COC(=O)[C@H]1CC[C@H](c2noc(C(C)C)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
IDH1 O75874 3/20 0.38
TP53 P04637 1/20 0.35
FABP4 P15090 10/20 0.34
FABP5 Q01469 10/20 0.34
ADORA1 P30542 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL408884 1.00 HCRTR1 (0.42) HCRTR1HCRTR2IDH1TP53FABP4
SCHEMBL2595526 0.85 HCRTR1 (0.40) HCRTR1HCRTR2FABP4FABP5KDM4E
SCHEMBL408844 0.84 HCRTR1 (0.44) HCRTR1HCRTR2IDH1FABP4FABP5
SCHEMBL438019 0.84 HCRTR1 (0.44) HCRTR1HCRTR2IDH1FABP4FABP5
SCHEMBL2596218 0.82 HCRTR1 (0.41) HCRTR1HCRTR2IDH1TP53FABP4
SCHEMBL12299867 0.82 HCRTR1 (0.43) HCRTR1HCRTR2IDH1NR1H4
SCHEMBL2576712 0.81 CCR5 (0.40) TP53FABP4FABP5ADORA1
SCHEMBL2576715 0.81 CCR5 (0.40) TP53FABP4FABP5ADORA1
SCHEMBL19189826 0.80 ADORA1 (0.36) TP53FABP4FABP5ADORA1
SCHEMBL440762 0.77 MTNR1A (0.41) HCRTR1HCRTR2IDH1ADORA1NR1H4

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT HCRTR1 1535/4885HCRTR2 1110/4885IDH1 460/4885

“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.