SCHEMBL4259938

SCHEMBL4259938

CCC(CC)CN1C(=O)C2(NC(=O)NC2=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 9/20 0.46
ITGA4 P13612 1/20 0.43
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
CACNA1F O60840 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
SCN1A P35498 1/20 0.39
SCN4A P35499 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
CACNA1D Q01668 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39

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
SCHEMBL4253018 0.87 AKR1B1 (0.60) AKR1B1ITGA4GAAALDH1A1MAPT
SCHEMBL4263117 0.84 AKR1B1 (0.38) AKR1B1ITGA4ALDH1A1MAPTCYP2C9
SCHEMBL4259309 0.83 AKR1B1 (0.48) AKR1B1AKR1A1
SCHEMBL4260190 0.80 AKR1B1 (0.52) AKR1B1ITGA4GAAALDH1A1MAPT
SCHEMBL4167285 0.80 ALDH1A1 (0.49) AKR1B1GAAALDH1A1MAPTKDM4E
SCHEMBL4176354 0.78 AKR1B1 (0.42) AKR1B1ITGA4GAAALDH1A1MAPT
SCHEMBL4254336 0.77 ALDH1A1 (0.51) ITGA4ALDH1A1MAPTCACNA1FCYP2C9
SCHEMBL4163278 0.77 AKR1B1 (0.44) AKR1B1ITGA4GAAALDH1A1MAPT
SCHEMBL4263796 0.77 ITGA4 (0.43) AKR1B1ITGA4GAAALDH1A1MAPT
SCHEMBL4164003 0.76 ITGA4 (0.45) AKR1B1ITGA4ALDH1A1MAPTCACNA1F

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-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-07-09 US claimed
EP-1984374-A1 USE OF SPIRO Ý IMIDAZOLIDINE-4, 3'-INDOLE¨2, 2', 5' (1H) TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 AstraZeneca AB (SE) 2008-10-29 EP claimed
WO-2007091946-A1 USE OF SPIRO [ IMIDAZOLIDINE-4, 3'-INDOLE] 2, 2', 5' (1H) TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 ASTRAZENECA AB (SE) 2007-08-16 WO claimed
US-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-07-09 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-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 TRPV1, TRPV2, TRPV3 AKR1B1 366/4885ITGA4 2535/4885GAA 4271/4885

“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.