SCHEMBL2207682

SCHEMBL2207682

CC(C)(C)C1CCC2(CC1)CC(C(=O)Nc1cccc3c(O)cccc13)=NO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.40
TRPV1 Q8NER1 3/20 0.38
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
HSD17B2 P37059 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.34
CHEK1 O14757 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
NTRK1 P04629 1/20 0.34
RET P07949 1/20 0.34
MET P08581 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
LTK P29376 1/20 0.34
GRK5 P34947 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
SCHEMBL4641240 0.83 TRPV1 (0.36) TRPV1ALDH1A1GAAHSD17B2MEN1
SCHEMBL2205215 0.80 MRGPRX1 (0.43) GPR119ALDH1A1MEN1KMT2AATM
SCHEMBL2208512 0.77 BRD4 (0.41) GPR119ATMITGB3ITGB1ITGAV
SCHEMBL2208053 0.74 GPR119 (0.46) GPR119TRPV1ITGB3ITGB1ITGAV
SCHEMBL2210571 0.73 ALDH1A1 (0.42) ALDH1A1GAAITGB3ITGB1ITGAV
SCHEMBL2207313 0.73 ALDH1A1 (0.42) ALDH1A1GAAITGB3ITGB1ITGAV
SCHEMBL2204894 0.72 GPR119 (0.42) GPR119TRPV1ALDH1A1KMT2AMAPT
SCHEMBL2206230 0.72 GPR119 (0.44) GPR119TRPV1
SCHEMBL2208732 0.72 GPR119 (0.46) GPR119ATMPDGFRAITGB3ITGB1
SCHEMBL2207440 0.71 TRPV1 (0.46) TRPV1ALDH1A1

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 8 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
EP-1888542-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006136245-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2006-12-28 WO 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 GPR119 3262/4885TRPV1 649/4885ALDH1A1 218/4885

“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.