SCHEMBL2210658

SCHEMBL2210658

CC1(C)CC(C)(C)CC2(CC(c3ccc(C(C)(C)C)cc3)=NO2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
KIF11 P52732 2/20 0.35
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
HTR1D P28221 1/20 0.33
ADRA1A P35348 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
NLRP3 Q96P20 1/20 0.32
IKBKB O14920 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RECQL P46063 1/20 0.32
HTT P42858 1/20 0.32
NOTUM Q6P988 1/20 0.31

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
SCHEMBL4643127 0.90 CHRNB4 (0.40) CHRNB4CHRNA3KIF11PTGS1PTGS2
SCHEMBL2205534 0.81 CHRNB4 (0.52) CHRNB4CHRNA3KDM4ETDP1NLRP3
SCHEMBL2206356 0.79 CHRNB4 (0.39) CHRNB4CHRNA3KIF11PTGS1PTGS2
SCHEMBL2208210 0.74 CHRNB4 (0.36) CHRNB4CHRNA3KIF11KDM4ETDP1
SCHEMBL2208302 0.72 CHRNB4 (0.42) CHRNB4CHRNA3NLRP3TP53RECQL
SCHEMBL16175483 0.72 RAB9A (0.37) CHRNB4CHRNA3KDM4ETDP1NPC1
SCHEMBL12434594 0.72 CHRNB4 (0.37) CHRNB4CHRNA3LMNASMN1; SMN2
SCHEMBL2206353 0.72 CHRNB4 (0.34) CHRNB4CHRNA3KIF11KDM4ENPC1
SCHEMBL4643542 0.71 CHRNB4 (0.55) CHRNB4CHRNA3TDP1NLRP3RECQL
SCHEMBL5012829 0.71 MEN1 (0.51) KDM4ELMNASMN1; SMN2HTTABL1

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 4690/4885KIF11 2410/4885

“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.