SCHEMBL10328210

SCHEMBL10328210

CC(C)C1CCN(C(=O)[C@H](O)CO)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RBP4 P02753 1/20 0.40
EPHX2 P34913 3/20 0.38
DPP4 P27487 5/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36
DPP7 Q9UHL4 1/20 0.36
CPN1 P15169 1/20 0.34
CPB2 Q96IY4 1/20 0.34
SMYD3 Q9H7B4 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
SCHEMBL10232869 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ARBP4EPHX2
SCHEMBL15247298 0.87 EPHX2 (0.42) ALDH1A1MEN1KMT2AEPHX2DPP4
SCHEMBL15247297 0.87 EPHX2 (0.42) ALDH1A1MEN1KMT2AEPHX2DPP4
SCHEMBL22874688 0.87 EPHX2 (0.42) ALDH1A1MEN1KMT2AEPHX2DPP4
SCHEMBL15247215 0.86 EPHX2 (0.39) ALDH1A1MEN1KMT2ARBP4EPHX2
SCHEMBL22875185 0.84 MEN1 (0.40) ALDH1A1MEN1KMT2AEPHX2DPP4
SCHEMBL22874691 0.84 MEN1 (0.40) ALDH1A1MEN1KMT2AEPHX2DPP4
SCHEMBL22875187 0.84 MEN1 (0.40) ALDH1A1MEN1KMT2AEPHX2DPP4
SCHEMBL22874728 0.84 MEN1 (0.40) ALDH1A1MEN1KMT2AEPHX2DPP4
SCHEMBL26227925 0.84 MEN1 (0.40) ALDH1A1MEN1KMT2AEPHX2DPP4

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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR ALDH1A1 4261/4885MEN1 948/4885KMT2A 1587/4885

“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.