SCHEMBL2208396

SCHEMBL2208396

CC(C)(C)c1ccc(NC(=O)C2CCC3(CC2)CC(C(=O)N2CCN(c4ncccc4Cl)CC2)=NO3)cc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.66
TRPA1 O75762 3/20 0.59
KCNH2 Q12809 1/20 0.59
TRPM8 Q7Z2W7 1/20 0.59
MALT1 Q9UDY8 7/20 0.50

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
SCHEMBL5126118 0.89 TRPV1 (0.71) TRPV1TRPA1KCNH2TRPM8
SCHEMBL2205514 0.89 TRPV1 (0.50) TRPV1TRPA1KCNH2TRPM8MALT1
SCHEMBL1457422 0.88 TRPV1 (0.58) TRPV1TRPA1KCNH2TRPM8
SCHEMBL2207492 0.84 TRPA1 (0.47) TRPV1TRPA1KCNH2TRPM8
SCHEMBL2207487 0.84 TRPA1 (0.47) TRPV1TRPA1KCNH2TRPM8
SCHEMBL2208267 0.84 TRPA1 (0.47) TRPV1TRPA1KCNH2TRPM8
SCHEMBL5120202 0.81 TRPV1 (0.59) TRPV1TRPA1KCNH2TRPM8
SCHEMBL1457229 0.81 TRPA1 (0.54) TRPV1TRPA1KCNH2TRPM8
SCHEMBL2208046 0.81 CNR2 (0.47) TRPV1TRPA1KCNH2TRPM8
SCHEMBL2208042 0.81 CNR2 (0.47) TRPV1TRPA1KCNH2TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981883-B2 Substituted spiro-compounds and the use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-07-19 US claimed
US-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 US claimed
EP-1888542-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006136245-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2006-12-28 WO claimed
US-7981883-B2 Substituted spiro-compounds and the use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-07-19 US disclosed
US-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
EP-1888542-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006136245-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2006-12-28 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-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments REN, PKD1, PKD2 TRPV1 649/4885TRPA1 418/4885KCNH2 1280/4885

“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.