SCHEMBL5115280

SCHEMBL5115280

COc1ccccc1NC(=O)N1CCC2(CC1)CC(C(=O)N1CCN(c3ncccc3Cl)CC1)=NO2

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.59
KDM4E B2RXH2 3/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TRPV1 Q8NER1 2/20 0.50
P2RY12 Q9H244 1/20 0.50
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TRPA1 O75762 1/20 0.45
KCNH2 Q12809 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL5119805 0.92 ALDH1A1 (0.50) RBP4KDM4EUSP2ALDH1A1TSHR
SCHEMBL5120186 0.91 KDM4E (0.52) RBP4KDM4EALDH1A1TRPV1P2RY12
SCHEMBL5127551 0.91 RBP4 (0.62) RBP4KDM4ETSHRTRPV1P2RY12
SCHEMBL5119737 0.91 RBP4 (0.47) RBP4KDM4EALDH1A1TRPV1TRPA1
SCHEMBL1457525 0.90 RBP4 (0.49) RBP4KDM4EUSP2ALDH1A1TSHR
SCHEMBL5112229 0.90 RBP4 (0.47) RBP4KDM4EALDH1A1TRPV1TRPA1
SCHEMBL1456956 0.89 RBP4 (0.47) RBP4KDM4EUSP2ALDH1A1TSHR
SCHEMBL5112268 0.88 RBP4 (0.47) RBP4KDM4EALDH1A1TRPV1P2RY12
SCHEMBL5127785 0.88 RBP4 (0.47) RBP4KDM4EALDH1A1TRPV1TRPA1
SCHEMBL5111504 0.88 TRPV1 (0.48) RBP4KDM4EALDH1A1TRPV1TRPA1

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 1 patent. 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

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 2383/4885KDM4E 3418/4885USP2 4839/4885

“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.