SCHEMBL5127785

SCHEMBL5127785

CSc1ccccc1NC(=O)N1CCC2(CC1)CC(C(=O)N1CCN(c3ncccc3Cl)CC1)=NO2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.47
TRPV1 Q8NER1 2/20 0.46
TRPA1 O75762 1/20 0.46
KCNH2 Q12809 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
CNR2 P34972 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 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
SCHEMBL5114396 0.92 PHGDH (0.44) RBP4TRPV1TRPA1KCNH2TRPM8
SCHEMBL5120186 0.92 KDM4E (0.52) RBP4TRPV1TRPA1KCNH2TRPM8
SCHEMBL1457791 0.89 TRPA1 (0.41) RBP4TRPV1TRPA1KCNH2TRPM8
SCHEMBL5112268 0.89 RBP4 (0.47) RBP4TRPV1TRPA1KCNH2TRPM8
SCHEMBL5125611 0.89 TRPV1 (0.48) RBP4TRPV1TRPA1KCNH2TRPM8
SCHEMBL5111504 0.89 TRPV1 (0.48) RBP4TRPV1TRPA1KCNH2TRPM8
SCHEMBL5116640 0.88 TRPV1 (0.50) RBP4TRPV1TRPA1KCNH2TRPM8
SCHEMBL5115280 0.88 RBP4 (0.59) RBP4TRPV1TRPA1KCNH2TRPM8
SCHEMBL5112970 0.87 TRPV1 (0.54) TRPV1TRPA1KCNH2TRPM8
SCHEMBL5116579 0.87 RBP4 (0.46) RBP4TRPV1TRPA1KCNH2TRPM8

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 RBP4 2383/4885TRPV1 675/4885TRPA1 720/4885

“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.