SCHEMBL6305698

SCHEMBL6305698

CC(C)(C)OC(=O)N1CCCC(Oc2cccnc2)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.53
USP30 Q70CQ3 1/20 0.51
CHEK2 O96017 1/20 0.50
CYP1A2 P05177 1/20 0.48
SPR P35270 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
CYP2C9 P11712 1/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
CYP4A11 Q02928 2/20 0.45
CYP4F2 P78329 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL7242563 0.93 GPR119 (0.57) GPR119USP30SPRALDH1A1HTT
SCHEMBL1769162 0.93 GPR119 (0.57) GPR119USP30SPRALDH1A1HTT
SCHEMBL30193463 0.93 GPR119 (0.57) GPR119USP30SPRALDH1A1HTT
SCHEMBL29548089 0.88 GPR119 (0.53) GPR119USP30SPRHRH3CHRNB2
SCHEMBL6306297 0.88 GPR119 (0.53) GPR119USP30SPRHRH3CHRNB2
SCHEMBL639943 0.86 GPR119 (0.63) GPR119USP30SPRALDH1A1HTT
SCHEMBL26668746 0.86 CHEK2 (0.55) GPR119USP30CHEK2CYP2C9PRMT5
SCHEMBL7466419 0.82 GPR119 (0.54) GPR119USP30CHEK2SPR
SCHEMBL16195910 0.81 CHEK2 (0.49) USP30CHEK2CYP2C9PRMT5WDR77
SCHEMBL14780123 0.81 CHEK2 (0.49) USP30CHEK2CYP2C9PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6888001-B2 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. LEE JUNG S (US) 2005-05-03 US disclosed
EP-1107965-B1 PYRIDYL ETHERS AND THIOETHERS AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTOR AND ITS THERAPEUTIC APPLICATION ORTHO MCNEIL PHARM INC (US) 2004-08-11 EP disclosed
US-20030207858-A1 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. LEE JUNG S (US) 2003-11-06 US disclosed
US-6562847-B1 Useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-05-13 US disclosed
EP-1107965-A1 PYRIDYL ETHERS AND THIOETHERS AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTOR AND ITS THERAPEUTIC APPLICATION Ortho-McNeil Pharmaceutical, Inc. (US) 2001-06-20 EP disclosed
WO-2000010997-A1 PYRIDYL ETHERS AND THIOETHERS AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTOR AND ITS THERAPEUTIC APPLICATION ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-03-02 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-20030207858-A1 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. CHRM1, CHRM5, CHRM2 GPR119 338/4885USP30 4398/4885CHEK2 2811/4885

“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.