SCHEMBL4169851

SCHEMBL4169851

O=C1NC(=O)C2(N1)C(=O)N(CCn1cccc1)c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.44
AKR1B1 P15121 7/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
CACNA1F O60840 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
SCN1A P35498 1/20 0.40
SCN4A P35499 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
CACNA1D Q01668 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
LMNA P02545 1/20 0.37

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
SCHEMBL4167713 0.84 AKR1B1 (0.40) ITGA4AKR1B1ALDH1A1MAPTCACNA1F
SCHEMBL4169609 0.84 AKR1B1 (0.48) AKR1B1AKR1A1
SCHEMBL4169748 0.84 AKR1B1 (0.48) AKR1B1ALDH1A1MAPTLMNAAKR1A1
SCHEMBL4260190 0.81 AKR1B1 (0.52) ITGA4AKR1B1ALDH1A1MAPTCACNA1F
SCHEMBL4163278 0.81 AKR1B1 (0.44) ITGA4AKR1B1ALDH1A1MAPTCACNA1F
SCHEMBL4167285 0.81 ALDH1A1 (0.49) AKR1B1ALDH1A1MAPTKDM4EMEN1
SCHEMBL4168868 0.79 AKR1B1 (0.42) ITGA4AKR1B1ALDH1A1MAPTCACNA1F
SCHEMBL4176354 0.79 AKR1B1 (0.42) ITGA4AKR1B1ALDH1A1MAPTCACNA1F
SCHEMBL4254336 0.78 ALDH1A1 (0.51) ITGA4ALDH1A1MAPTCACNA1FCYP2C9
SCHEMBL4261414 0.77 ALDH1A1 (0.53) ITGA4AKR1B1ALDH1A1MAPTCACNA1F

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 US claimed
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 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-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 TRPV1, TRPV5, TRPV2 ITGA4 1856/4885AKR1B1 344/4885ALDH1A1 550/4885

“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.