SCHEMBL5120183

SCHEMBL5120183

CC(C)c1ccc(NC(=O)N2CCC3(CC2)CC(C(=O)N2CCN(c4ncccc4Cl)CC2)=NO3)cc1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.57
TRPA1 O75762 1/20 0.55
KCNH2 Q12809 1/20 0.55
TRPM8 Q7Z2W7 1/20 0.55
TRPV1 Q8NER1 1/20 0.55

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
SCHEMBL5119085 0.92 TRPV1 (0.57) TRPA1KCNH2TRPM8TRPV1
SCHEMBL5126530 0.92 TRPV1 (0.56) TRPA1KCNH2TRPM8TRPV1
SCHEMBL5126435 0.91 TRPV1 (0.55) TRPA1KCNH2TRPM8TRPV1
SCHEMBL5120713 0.90 TRPV1 (0.54) TRPA1KCNH2TRPM8TRPV1
SCHEMBL5120256 0.90 TRPV1 (0.54) PANK3TRPA1KCNH2TRPM8TRPV1
SCHEMBL5126118 0.90 TRPV1 (0.71) TRPA1KCNH2TRPM8TRPV1
SCHEMBL5112970 0.90 TRPV1 (0.54) PANK3TRPA1KCNH2TRPM8TRPV1
SCHEMBL5127608 0.90 TRPV1 (0.54) TRPA1KCNH2TRPM8TRPV1
SCHEMBL5119668 0.89 TRPV1 (0.54) TRPA1KCNH2TRPM8TRPV1
SCHEMBL1457118 0.89 PANK3 (0.46) PANK3TRPA1KCNH2TRPM8TRPV1

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 PANK3 224/4885TRPA1 720/4885KCNH2 866/4885

“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.