SCHEMBL2208302

SCHEMBL2208302

CC(C)(C)c1ccc(C2=NOC3(CCC(c4ccccc4)CC3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
S1PR1 P21453 1/20 0.37
NLRP3 Q96P20 1/20 0.35
RECQL P46063 1/20 0.34
SSTR5 P35346 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
EGFR P00533 1/20 0.32
TP53 P04637 2/20 0.32
KDM1A O60341 1/20 0.32
CYP2C9 P11712 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
SCHEMBL4640229 0.93 CHRNB4 (0.42) CHRNB4CHRNA3S1PR1NLRP3RECQL
SCHEMBL2210855 0.87 CHRNB4 (0.49) CHRNB4CHRNA3NLRP3RECQLSSTR5
SCHEMBL4620189 0.86 NLRP3 (0.47) CHRNB4CHRNA3NLRP3RECQLSSTR5
SCHEMBL4639854 0.82 CYP2C9 (0.41) CHRNB4CHRNA3S1PR1ALDH1A1CYP2C9
SCHEMBL4639958 0.80 CHRNB4 (0.45) CHRNB4CHRNA3S1PR1NLRP3ALDH1A1
SCHEMBL4640975 0.80 CHRNB4 (0.49) CHRNB4CHRNA3CYP2C9
SCHEMBL2208210 0.80 CHRNB4 (0.36) CHRNB4CHRNA3S1PR1NLRP3RECQL
SCHEMBL2206353 0.78 CHRNB4 (0.34) CHRNB4CHRNA3SSTR5
SCHEMBL2206356 0.78 CHRNB4 (0.39) CHRNB4CHRNA3S1PR1NLRP3RECQL
SCHEMBL2205560 0.76 TRPV1 (0.44) CHRNB4CHRNA3

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 6 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
EP-1888542-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006136245-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2006-12-28 WO 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 4690/4885S1PR1 842/4885

“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.