SCHEMBL3443191

SCHEMBL3443191

CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccccc3)ccn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.64
SKP1 P63208 2/20 0.64
SKP2 Q13309 2/20 0.64
GPR119 Q8TDV5 3/20 0.57
KIT P10721 2/20 0.54
USP30 Q70CQ3 1/20 0.54
LRRK2 Q5S007 1/20 0.53
ACHE P22303 1/20 0.53
WNT3A P56704 2/20 0.52
GBA1 P04062 1/20 0.50
ALK Q9UM73 1/20 0.49
ITGB2 P05107 1/20 0.49
ICAM1 P05362 1/20 0.49
ITGAL P20701 1/20 0.49
ABCB1 P08183 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
RET P07949 1/20 0.48
PIK3CA P42336 1/20 0.48
MAP4K4 O95819 1/20 0.47

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
SCHEMBL29157436 0.88 LRRK2 (0.54) CKS1BSKP1SKP2GPR119LRRK2
SCHEMBL1705150 0.87 CKS1B (0.55) CKS1BSKP1SKP2GPR119KIT
SCHEMBL15228419 0.84 GPR119 (0.56) CKS1BSKP1SKP2GPR119LRRK2
SCHEMBL20938623 0.83 PIK3CA (0.56) CKS1BSKP1SKP2GPR119KIT
SCHEMBL113805 0.83 GPR119 (0.55) CKS1BSKP1SKP2GPR119LRRK2
SCHEMBL3267870 0.82 CKS1B (0.65) CKS1BSKP1SKP2GPR119KIT
SCHEMBL3273530 0.82 CKS1B (0.62) CKS1BSKP1SKP2GPR119KIT
SCHEMBL1459701 0.82 GPR119 (0.79) CKS1BSKP1SKP2GPR119
SCHEMBL30516861 0.82 GPR119 (0.79) CKS1BSKP1SKP2GPR119
SCHEMBL3442387 0.82 ALDH1A1 (0.56) ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812025-B2 Brain/neuronal cell-protecting agent and therapeutic agent for sleep disorder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-12 US disclosed
US-20090048263-A1 Brain/neuronal cell-protecting agent and therapeutic agent for sleep disorder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1923388-A1 BRAIN/NEURONAL CELL-PROTECTING AGENT, AND THERAPEUTIC AGENT FOR SLEEP DISORDER Takeda Pharmaceutical Company Limited (JP) 2008-05-21 EP 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-20090048263-A1 Brain/neuronal cell-protecting agent and therapeutic agent for sleep disorder HCRTR1, HCRTR2, MTNR1A CKS1B 2582/4885SKP1 734/4885SKP2 1308/4885

“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.