SCHEMBL5116491

SCHEMBL5116491

CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)N1CCN(c3ncccc3Cl)CC1)=NO2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
TRPA1 O75762 7/20 0.51
TRPV1 Q8NER1 3/20 0.51
KCNH2 Q12809 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.41

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
SCHEMBL1457200 0.90 TRPA1 (0.46) POLBTRPA1TRPV1KCNH2TRPM8
SCHEMBL5126434 0.88 TRPV1 (0.52) POLBTRPA1TRPV1GPR119
SCHEMBL5116605 0.88 TRPA1 (0.42) POLBTRPA1TRPV1GPR119
SCHEMBL5115851 0.85 TRPA1 (0.46) TRPA1TRPV1KCNH2TRPM8
SCHEMBL2207487 0.85 TRPA1 (0.47) TRPA1TRPV1KCNH2TRPM8CNR2
SCHEMBL2208267 0.85 TRPA1 (0.47) TRPA1TRPV1KCNH2TRPM8CNR2
SCHEMBL2207492 0.85 TRPA1 (0.47) TRPA1TRPV1KCNH2TRPM8CNR2
SCHEMBL15397892 0.84 TRPA1 (0.47) TRPA1TRPV1KCNH2TRPM8
SCHEMBL2421627 0.83 TRPA1 (0.68) POLBTRPA1TRPV1KCNH2TRPM8
SCHEMBL15397894 0.83 TRPA1 (0.46) TRPA1TRPV1KCNH2TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292625-A1 Substituted spiro compounds and their use for producing pain-relief medicaments Grünenthal GmbH (DE) 2011-03-09 EP disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US disclosed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs REN, PKD1, NR3C2 POLB 3854/4885TRPA1 720/4885TRPV1 675/4885

“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.