SCHEMBL2209482

SCHEMBL2209482

CCC(C)(C)C1CCC2(CC1)CC(c1ccccn1)=NO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR39 O43194 1/20 0.32
ATM Q13315 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
HTT P42858 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
SCHEMBL4643609 0.94 NPC1 (0.34) GAAKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4621179 0.77 SCD5 (0.39) KDM4ENPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL4640438 0.71 NPC1 (0.39) KDM4ENPC1RAB9ASMN1; SMN2CYP2C9
SCHEMBL2205238 0.69 KDM4E (0.37) GAAKDM4EMAPTHTT
SCHEMBL17300431 0.68 NPC1 (0.39) KDM4ENPC1SMN1; SMN2CYP2D6CYP2C9
SCHEMBL10210782 0.68 CHRNB4 (0.38) KDM4ECYP1A2CYP2D6CYP2C9HPGD
SCHEMBL10168567 0.65 CHRNB4 (0.36) CYP1A2CYP2D6CYP2C9HPGDTSHR
SCHEMBL4619489 0.65 KDM4E (0.34) GAAKDM4EMAPT
SCHEMBL28788599 0.63 LMNA (0.42) GAAKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13364009 0.62 CA1 (0.43) GAAKDM4ERAB9ACYP1A2HPGD

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 GAA 1125/4885KDM4E 3501/4885NPC1 424/4885

“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.