SCHEMBL4789808

SCHEMBL4789808

CC1=C(C(=O)O)C(c2ccccc2[N+](=O)[O-])C(C(=O)OC(C)(C)C)=C(C)N1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 4/20 0.48
CACNA1D Q01668 4/20 0.48
ADORA3 P0DMS8 3/20 0.48
CACNA1F O60840 3/20 0.48
CACNA1S Q13698 3/20 0.48
LMNA P02545 3/20 0.48
CACNA1B Q00975 2/20 0.48
ABCC4 O15439 2/20 0.48
ABCB11 O95342 2/20 0.48
CYP1A2 P05177 2/20 0.48
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
OPRM1 P35372 2/20 0.48
SCN1A P35498 2/20 0.48
HTR2B P41595 2/20 0.48
KCNH2 Q12809 2/20 0.48
SCN5A Q14524 2/20 0.48
SCN2A Q99250 2/20 0.48
SCN3A Q9NY46 2/20 0.48
TSHR P16473 2/20 0.48

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
SCHEMBL5461012 0.82 NR3C2 (0.42) ADORA3LMNAKCNH2TSHRKDM4E
SCHEMBL3016258 0.79 ADORA3 (0.75) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL11683170 0.77 TSHR (0.65) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL10493291 0.77 ADORA3 (0.56) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL10109201 0.76 CACNA1C (0.72) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL1672505 0.74 ALDH1A1 (0.47) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL11368678 0.73 ADORA3 (0.65) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL4608919 0.72 CACNA1C (0.64) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL28770058 0.72 ALDH1A1 (0.48) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL11688996 0.72 CACNA1D (0.48) CACNA1CCACNA1DADORA3CACNA1FCACNA1S

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
WO-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 WO disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 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-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 CACNA1C 33/4885CACNA1D 54/4885ADORA3 560/4885

“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.