SCHEMBL5116605

SCHEMBL5116605

CC1CN(c2ncccc2Cl)CCN1C(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.42
TRPV1 Q8NER1 4/20 0.42
POLB P06746 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
RBP4 P02753 1/20 0.38
GRM1 Q13255 2/20 0.38
SLC6A7 Q99884 2/20 0.38
CHRM4 P08173 1/20 0.37

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
SCHEMBL1457437 0.90 TRPV1 (0.39) TRPA1TRPV1RBP4GRM1SLC6A7
SCHEMBL5116491 0.88 POLB (0.51) TRPA1TRPV1POLBGPR119
SCHEMBL2203441 0.86 GRM1 (0.46) TRPA1TRPV1RBP4GRM1SLC6A7
SCHEMBL2203446 0.86 GRM1 (0.46) TRPA1TRPV1RBP4GRM1SLC6A7
SCHEMBL1457263 0.84 TRPV1 (0.60) TRPA1TRPV1
SCHEMBL12512458 0.83 TRPV1 (0.41) TRPA1TRPV1RBP4GRM1SLC6A7
SCHEMBL1457200 0.78 TRPA1 (0.46) TRPA1TRPV1POLBRBP4
SCHEMBL5126434 0.76 TRPV1 (0.52) TRPA1TRPV1POLBGPR119RBP4
SCHEMBL2209388 0.75 HSD11B1 (0.44) TRPA1TRPV1GRM1SLC6A7
SCHEMBL2209392 0.75 HSD11B1 (0.44) TRPA1TRPV1GRM1SLC6A7

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 TRPA1 720/4885TRPV1 675/4885POLB 3854/4885

“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.