SCHEMBL4802880

SCHEMBL4802880

CC(C)(C)OC(=O)N1CCN(c2cccc3cc(Cc4cccc(Cl)c4)cnc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.44
ACHE P22303 2/20 0.44
ADORA2A P29274 1/20 0.43
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
TP53 P04637 2/20 0.42
GPR119 Q8TDV5 1/20 0.41
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
STS P08842 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5698822 0.86 IDE (0.40) MAPK1SMN1; SMN2MAPTTP53POLB
SCHEMBL4800390 0.82 MAPT (0.45) MAPK1MAPTCKS1BSKP1SKP2
SCHEMBL2854558 0.80 HRH1 (0.47) ACHECKS1BSKP1SKP2GPR119
SCHEMBL520241 0.79 MAP4K4 (0.50) SMN1; SMN2MAPTACHEADORA2ACKS1B
SCHEMBL520960 0.79 CKS1B (0.49) SMN1; SMN2MAPTACHECKS1BSKP1
SCHEMBL4799911 0.78 HTR6 (0.53)
Hydrochloric Acid SCHEMBL4802553 0.77 HTR6 (0.52)
SCHEMBL6284838 0.76 CKS1B (0.52) MAPK1SMN1; SMN2MAPTACHEADORA2A
SCHEMBL4800091 0.76 CKS1B (0.51) MAPTACHECKS1BSKP1SKP2
SCHEMBL1048457 0.75 POLB (0.55) MAPTACHECKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439243-B2 Piperazinyl-quinoline derivatives useful for the treatment of CNS disorders GLAXO GROUP LIMITED (GB) 2008-10-21 US disclosed
EP-1663981-B1 PIPERAZINYL-QUINOLINE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2007-07-18 EP disclosed
US-20070027139-A1 Piperazinyl-quinoline derivatives useful for the treatment of cns disorders GLAXO GROUP LIMITED (GB) 2007-02-01 US disclosed
EP-1663981-A1 PIPERAZINYL-QUINOLINE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2006-06-07 EP disclosed
WO-2005030724-A1 PIPERAZINYL-QUINOLINE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2005-04-07 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-20070027139-A1 Piperazinyl-quinoline derivatives useful for the treatment of cns disorders PMP22, AQP4, GRIN2A MAPK1 3207/4885SMN1; SMN2 150/4885MAPT 71/4885

“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.