SCHEMBL7472876

SCHEMBL7472876

CC(C)(C)OC(=O)N1CC[C@@H]1COc1ccc(Cl)nc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 5/20 0.59
CHRNB2 P17787 3/20 0.54
CHRNA4 P43681 3/20 0.54
CHRNB4 P30926 2/20 0.54
CHRNB1 P11230 1/20 0.54
CHRNB3 Q05901 1/20 0.54
CHRNA7 P36544 1/20 0.44
GPR119 Q8TDV5 1/20 0.42
ALOX5AP P20292 3/20 0.42
FEN1 P39748 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
SCHEMBL6588716 1.00 CHRNA3 (0.59) CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1
SCHEMBL8437928 0.93 CHRNB2 (0.61) CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1
SCHEMBL8435310 0.93 CHRNB2 (0.61) CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1
SCHEMBL7407720 0.87 CHRNB2 (0.53) CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1
SCHEMBL18291358 0.86 ALOX5AP (0.50) CHRNA3GPR119ALOX5APFEN1
SCHEMBL7472930 0.86 CHRNB2 (0.54) CHRNA3CHRNB2CHRNA4GPR119ALOX5AP
SCHEMBL7479360 0.86 CHRNB2 (0.46) CHRNA3CHRNB2CHRNA4GPR119ALOX5AP
SCHEMBL7455050 0.85 GPR119 (0.42) CHRNA3GPR119ALOX5APFEN1
SCHEMBL7408557 0.85 GPR119 (0.48) CHRNA3GPR119ALOX5APFEN1
SCHEMBL7481577 0.84 ALOX5AP (0.44) CHRNA3GPR119ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128606-A1 ANTIPRURITIC AGENT TORAY INDUSTRIES, INC. (JP) 2014-05-08 US disclosed
US-20140128606-A1 ANTIPRURITIC AGENT TORAY INDUSTRIES, INC. (JP) 2014-05-08 US disclosed
US-20140128606-A1 ANTIPRURITIC AGENT TORAY INDUSTRIES, INC. (JP) 2014-05-08 US disclosed
EP-2727604-A1 ANTIPRURITIC AGENT Toray Industries, Inc. (JP) 2014-05-07 EP disclosed
EP-2727604-A1 ANTIPRURITIC AGENT Toray Industries, Inc. (JP) 2014-05-07 EP disclosed
WO-2013002365-A1 ANTIPRURITIC AGENT 東レ株式会社 (JP) 2013-01-03 WO disclosed
EP-0950057-B1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS ABBOTT LAB (US) 2002-11-13 EP disclosed
US-6403575-B1 ANTI-INFLAMMATORIES ABBOTT LABORATORIES 2002-06-11 US disclosed
US-6133253-A NEURONAL CELL DEATH PREVENTORS AND ANTI-INFLAMMATORIES ABBOTT LABORATORIES (US) 2000-10-17 US disclosed
CN-1245496-A 3-pyridyl enantiomers and their use as analgesics ABBOTT LAB (US) 2000-02-23 CN 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-20140128606-A1 ANTIPRURITIC AGENT MRGPRX2, HRH4, TRPV1 CHRNA3 59/4885CHRNB2 61/4885CHRNA4 39/4885

“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.