SCHEMBL8286393

SCHEMBL8286393

CC(C)(C)OC(=O)NCC1CC[C@@H](CO)CO1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
HCRTR2 O43614 1/20 0.39
KMT2A Q03164 1/20 0.39
ACACB O00763 5/20 0.39
ACACA Q13085 3/20 0.39
EPHX1 P07099 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR1H2 P55055 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL21607282 0.84 HCRTR2 (0.41) DRD2HCRTR2KMT2AACACBEPHX1
SCHEMBL28458597 0.84 HCRTR2 (0.41) DRD2HCRTR2KMT2AACACBEPHX1
SCHEMBL8284744 0.81 SMN1; SMN2 (0.41) DRD2HCRTR2KMT2AACACBACACA
SCHEMBL5963740 0.81 TDP1 (0.42) DRD2HCRTR2KMT2AACACBACACA
SCHEMBL8117400 0.81 TDP1 (0.42) DRD2HCRTR2KMT2AACACBACACA
SCHEMBL21607409 0.81 HCRTR2 (0.39) DRD2HCRTR2KMT2AACACBACACA
SCHEMBL21607408 0.81 HCRTR2 (0.39) DRD2HCRTR2KMT2AACACBACACA
SCHEMBL21607699 0.81 HCRTR2 (0.39) DRD2HCRTR2KMT2AACACBACACA
SCHEMBL21607705 0.81 HCRTR2 (0.39) DRD2HCRTR2KMT2AACACBACACA
SCHEMBL28532985 0.81 HCRTR2 (0.39) DRD2HCRTR2KMT2AACACBACACA

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-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 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 (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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A DRD2 1429/4885HCRTR2 130/4885KMT2A 1221/4885

“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.