SCHEMBL2209852

SCHEMBL2209852

CC(C)(C)C1CCC2(CC1)CC(C(=O)N1CCN(c3ncccc3C(F)(F)F)CC1)=NO2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
TRPV1 Q8NER1 5/20 0.49
POLB P06746 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
RBP4 P02753 1/20 0.46
TRPA1 O75762 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
SCHEMBL2209854 1.00 HSD11B1 (0.52) HSD11B1GAANPSR1TRPV1POLB
SCHEMBL2210623 1.00 HSD11B1 (0.52) HSD11B1GAANPSR1TRPV1POLB
SCHEMBL2207492 0.88 TRPA1 (0.47) TRPV1TRPA1
SCHEMBL2207487 0.88 TRPA1 (0.47) TRPV1TRPA1
SCHEMBL2208267 0.88 TRPA1 (0.47) TRPV1TRPA1
SCHEMBL12825373 0.85 HSD11B1 (0.56) HSD11B1GAANPSR1TRPV1POLB
SCHEMBL5126434 0.85 TRPV1 (0.52) HSD11B1GAANPSR1TRPV1POLB
Hydrochloric Acid SCHEMBL5115612 0.85 HSD11B1 (0.55) HSD11B1GAANPSR1TRPV1POLB
SCHEMBL2208046 0.84 CNR2 (0.47) TRPV1TRPA1
SCHEMBL2208042 0.84 CNR2 (0.47) TRPV1TRPA1

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-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

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 HSD11B1 68/4885GAA 1125/4885NPSR1 532/4885

“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.