SCHEMBL5128367

SCHEMBL5128367

O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC2(CC1)CC(C(=O)N1CCN(c3ncccc3Cl)CC1)=NO2

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.51
KCNH2 Q12809 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
PDGFRB P09619 5/20 0.48

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
SCHEMBL5126435 0.93 TRPV1 (0.55) TRPA1KCNH2TRPM8TRPV1
SCHEMBL5127608 0.91 TRPV1 (0.54) TRPA1KCNH2TRPM8TRPV1
SCHEMBL5119668 0.91 TRPV1 (0.54) TRPA1KCNH2TRPM8TRPV1
SCHEMBL5126530 0.90 TRPV1 (0.56) TRPA1KCNH2TRPM8TRPV1
SCHEMBL1457421 0.90 TRPA1 (0.45) TRPA1KCNH2TRPM8TRPV1
SCHEMBL5127588 0.89 TRPM8 (0.53) TRPA1KCNH2TRPM8TRPV1
SCHEMBL5119737 0.89 RBP4 (0.47) TRPA1KCNH2TRPM8TRPV1
SCHEMBL5120256 0.89 TRPV1 (0.54) TRPA1KCNH2TRPM8TRPV1
SCHEMBL5119085 0.89 TRPV1 (0.57) TRPA1KCNH2TRPM8TRPV1
SCHEMBL5120713 0.89 TRPV1 (0.54) TRPA1KCNH2TRPM8TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US claimed
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 720/4885KCNH2 866/4885TRPM8 424/4885

“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.