SCHEMBL2207499

SCHEMBL2207499

c1ccc(C2=NOC3(CCC4CCCCC4C3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
SSTR5 P35346 1/20 0.33
NLRP3 Q96P20 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
HTT P42858 1/20 0.32
KDM4E B2RXH2 2/20 0.31
PKM P14618 1/20 0.31
MCL1 Q07820 1/20 0.31
ATM Q13315 1/20 0.31
APAF1 O14727 1/20 0.31
GRK2 P25098 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL12434594 0.83 CHRNB4 (0.37) CHRNB4CHRNA3ALDH1A1
SCHEMBL2210855 0.75 CHRNB4 (0.49) CHRNB4CHRNA3POLBCYP1A2CYP2C19
SCHEMBL4640975 0.75 CHRNB4 (0.49) CHRNB4CHRNA3POLB
SCHEMBL2208234 0.73 CHRNB4 (0.47) CHRNB4CHRNA3POLBCYP1A2CYP2C19
SCHEMBL2203980 0.72 MGLL (0.30)
SCHEMBL2209509 0.71 CHRNB4 (0.45) CHRNB4CHRNA3POLBCYP1A2CYP2C19
SCHEMBL4620562 0.70 CHRNB4 (0.44) CHRNB4CHRNA3POLBCYP1A2CYP2C19
SCHEMBL5015653 0.70 CHRNB4 (0.52) CHRNB4CHRNA3POLBCYP1A2SSTR5
Hydrochloric Acid SCHEMBL3221936 0.69 CHRNB4 (0.51) CHRNB4CHRNA3CYP1A2SSTR5NLRP3
Ammonia Solution, Strong SCHEMBL5129561 0.69 CHRNB4 (0.51) CHRNB4CHRNA3CYP1A2SSTR5NLRP3

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 4690/4885POLB 3606/4885

“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.