SCHEMBL2206353

SCHEMBL2206353

CCC(C)(C)C1CCC2(CC1)CC(c1ccc(C(C)(C)C)cc1)=NO2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
KDM4E B2RXH2 3/20 0.32
GAA P10253 1/20 0.32
MIF P14174 1/20 0.32
KIF11 P52732 1/20 0.31
SSTR5 P35346 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL2208210 0.85 CHRNB4 (0.36) CHRNB4CHRNA3KDM4EMIFKIF11
SCHEMBL4641139 0.79 CHRNB4 (0.37) CHRNB4CHRNA3GAAMIF
SCHEMBL2208302 0.78 CHRNB4 (0.42) CHRNB4CHRNA3SSTR5
SCHEMBL2206356 0.78 CHRNB4 (0.39) CHRNB4CHRNA3KDM4EMIFKIF11
SCHEMBL12434594 0.76 CHRNB4 (0.37) CHRNB4CHRNA3
SCHEMBL4640229 0.73 CHRNB4 (0.42) CHRNB4CHRNA3
SCHEMBL2210658 0.72 CHRNB4 (0.36) CHRNB4CHRNA3KDM4EMIFKIF11
SCHEMBL4643609 0.71 NPC1 (0.34) CHRNB4CHRNA3KDM4EGAANPC1
SCHEMBL16175483 0.71 RAB9A (0.37) CHRNB4CHRNA3KDM4EMIFNPC1
SCHEMBL2205238 0.70 KDM4E (0.37) KDM4EGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981883-B2 Substituted spiro-compounds and the use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-07-19 US claimed
US-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 US claimed
US-7981883-B2 Substituted spiro-compounds and the use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-07-19 US disclosed
US-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 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-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments REN, PKD1, PKD2 CHRNB4 4783/4885CHRNA3 4690/4885KDM4E 3501/4885

“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.