SCHEMBL5128423

SCHEMBL5128423

O=C(NCCc1ccccc1)N1CCC2(CC1)CC(C(=O)N1CCN(c3ncccc3Cl)CC1)=NO2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.55
P2RY12 Q9H244 1/20 0.48
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TRPA1 O75762 1/20 0.41
KCNH2 Q12809 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
KIT P10721 1/20 0.41

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
SCHEMBL1456944 0.89 CHRM4 (0.45) CHRM4P2RY12TSHRHSD17B10TRPA1
SCHEMBL5125630 0.88 CHRM4 (0.48) CHRM4TRPA1KCNH2TRPM8TRPV1
SCHEMBL5111760 0.87 CHRM4 (0.47) CHRM4TRPA1KCNH2TRPM8TRPV1
SCHEMBL5126435 0.86 TRPV1 (0.55) P2RY12TRPA1KCNH2TRPM8TRPV1
SCHEMBL5115550 0.85 P2RY12 (0.49) CHRM4P2RY12TRPA1KCNH2TRPM8
SCHEMBL1457523 0.85 P2RY12 (0.48) CHRM4P2RY12TRPA1KCNH2TRPM8
SCHEMBL13930757 0.84 CHRM4 (0.70) CHRM4P2RY12TSHRHSD17B10TRPA1
SCHEMBL5120186 0.84 KDM4E (0.52) P2RY12TRPA1KCNH2TRPM8TRPV1
SCHEMBL5119668 0.83 TRPV1 (0.54) TRPA1KCNH2TRPM8TRPV1
SCHEMBL1457229 0.83 TRPA1 (0.54) CHRM4P2RY12TRPA1KCNH2TRPM8

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 CHRM4 2936/4885P2RY12 967/4885TSHR 2912/4885

“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.