SCHEMBL5118465

SCHEMBL5118465

O=C(Nc1ccccc1C(F)(F)F)N1CCC2(CC1)CC(C(=O)N1CCN(c3ncccc3Cl)CC1)=NO2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
TRPV1 Q8NER1 5/20 0.50
RBP4 P02753 3/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TRPA1 O75762 1/20 0.45
KCNH2 Q12809 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
HSD11B1 P28845 1/20 0.45

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
SCHEMBL5126853 0.92 SMN1; SMN2 (0.51) KDM4EGAATRPV1TRPA1HSD11B1
SCHEMBL5115293 0.92 TRPV1 (0.51) KDM4ETRPV1RBP4NPSR1HSD17B10
SCHEMBL5120186 0.91 KDM4E (0.52) KDM4ETRPV1RBP4TRPA1KCNH2
SCHEMBL5111504 0.90 TRPV1 (0.48) KDM4ETRPV1RBP4TRPA1KCNH2
SCHEMBL1457626 0.89 TRPA1 (0.45) KDM4EGAATRPV1RBP4TRPA1
SCHEMBL5112229 0.89 RBP4 (0.47) KDM4ETRPV1RBP4TRPA1KCNH2
SCHEMBL5112268 0.88 RBP4 (0.47) KDM4ETRPV1RBP4TRPA1KCNH2
SCHEMBL1457262 0.88 TRPA1 (0.42) KDM4EGAATRPV1RBP4TRPA1
SCHEMBL5125611 0.88 TRPV1 (0.48) KDM4ETRPV1RBP4TRPA1KCNH2
SCHEMBL5126475 0.88 TRPV1 (0.48) TRPV1RBP4TRPA1KCNH2TRPM8

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 KDM4E 3418/4885GAA 1971/4885TRPV1 675/4885

“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.