SCHEMBL2208512

SCHEMBL2208512

CC(C)(C)C1CCC2(CC1)CC(C(=O)Nc1nccc3ccccc13)=NO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
CNR2 P34972 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
ITGB3 P05106 3/20 0.36
ITGB1 P05556 3/20 0.36
ITGAV P06756 3/20 0.36
ITGA2B P08514 3/20 0.36
ITGA5 P08648 3/20 0.36
FDPS P14324 1/20 0.35
GPR119 Q8TDV5 3/20 0.35
ATM Q13315 1/20 0.35
USP30 Q70CQ3 1/20 0.34
HTR3A P46098 1/20 0.34
SSTR1 P30872 1/20 0.34
SSTR4 P31391 1/20 0.34
LMNA P02545 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL2208504 0.77 TRPV1 (0.46)
SCHEMBL2205856 0.77 TRPV1 (0.43) GPR119
SCHEMBL2207682 0.77 GPR119 (0.40) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL2206338 0.74 HDAC3 (0.40) GPR119LMNA
SCHEMBL2210571 0.74 ALDH1A1 (0.42) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL2207313 0.74 ALDH1A1 (0.42) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL2205215 0.71 MRGPRX1 (0.43) CNR2ITGB3ITGB1ITGAVITGA2B
SCHEMBL2209410 0.71 ATM (0.39) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL2208839 0.71 ATM (0.39) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL2208836 0.71 ATM (0.39) ITGB3ITGB1ITGAVITGA2BITGA5

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 BRD4 1320/4885CREBBP 705/4885CNR2 1713/4885

“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.