SCHEMBL2205534

SCHEMBL2205534

CC1(C)CC(C)(C)CC2(CC(c3ccccc3)=NO2)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
NLRP3 Q96P20 1/20 0.43
RECQL P46063 1/20 0.42
SSTR5 P35346 1/20 0.39
POLB P06746 1/20 0.39
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34

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
SCHEMBL4643542 0.88 CHRNB4 (0.55) CHRNB4CHRNA3NLRP3RECQLSSTR5
SCHEMBL2210658 0.81 CHRNB4 (0.36) CHRNB4CHRNA3NLRP3RECQLTDP1
SCHEMBL14534188 0.74 CHRNB4 (0.53) CHRNB4CHRNA3NLRP3RECQLSSTR5
SCHEMBL14278576 0.74 NLRP3 (0.46) CHRNB4CHRNA3NLRP3RECQLPOLB
SCHEMBL5015653 0.73 CHRNB4 (0.52) CHRNB4CHRNA3NLRP3RECQLSSTR5
SCHEMBL28665635 0.72 NLRP3 (0.55) CHRNB4CHRNA3NLRP3RECQLPOLB
SCHEMBL4643127 0.72 CHRNB4 (0.40) CHRNB4CHRNA3
Ammonia Solution, Strong SCHEMBL5129561 0.72 CHRNB4 (0.51) CHRNB4CHRNA3NLRP3RECQLSSTR5
Hydrochloric Acid SCHEMBL3221936 0.72 CHRNB4 (0.51) CHRNB4CHRNA3NLRP3RECQLSSTR5
SCHEMBL5012160 0.71 CHRNB4 (0.50) CHRNB4CHRNA3NLRP3RECQLSSTR5

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 4690/4885NLRP3 1799/4885

“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.