SCHEMBL5406355

SCHEMBL5406355

CC(C)(C)OC(=O)N[C@H](CC(=O)NCCN1CCCC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.50
DRD2 P14416 2/20 0.47
ALDH1A1 P00352 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
AKT1 P31749 1/20 0.42
AHCY P23526 1/20 0.42
TACR3 P29371 1/20 0.42

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
SCHEMBL5404729 1.00 RAB9A (0.50) RAB9ADRD2ALDH1A1CTSSCTSK
SCHEMBL5403561 0.83 SIRT5 (0.54) DRD2CTSSCTSKSIGMAR1AKT1
SCHEMBL20045533 0.83 UTS2R (0.56) CTSSCTSKNPC1
SCHEMBL3182313 0.82 GPR88 (0.49) RAB9AALDH1A1CTSSCTSKNPC1
SCHEMBL3182322 0.82 GPR88 (0.49) RAB9AALDH1A1CTSSCTSKNPC1
SCHEMBL6263975 0.81 RAB9A (0.56) RAB9ADRD2CTSSCTSKMEN1
SCHEMBL20252510 0.79 CTSK (0.48) RAB9AALDH1A1CTSSCTSKNPC1
SCHEMBL16019025 0.79 SYK (0.48) DRD2CTSSSIGMAR1AKT1
SCHEMBL28520725 0.79 CTSK (0.49) CTSSCTSKMEN1KMT2A
SCHEMBL20045534 0.79 HPGD (0.46) CTSSCTSKMEN1KMT2A

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-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 RAB9A 3075/4885DRD2 3203/4885ALDH1A1 3023/4885

“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.