SCHEMBL5222407

SCHEMBL5222407

CCOC(=O)c1cc2cc(C)c[n+]([O-])c2n1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 6/20 0.38
NOD1 Q9Y239 6/20 0.38
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.33
GLA P06280 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
NR1H2 P55055 1/20 0.31
LMNA P02545 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
SCHEMBL1423415 0.83 NOD2 (0.42) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL5217704 0.82 NOD2 (0.39) NOD2NOD1MAPTCACNA1BKDM4E
SCHEMBL12042732 0.76 NOD2 (0.52) NOD2NOD1MAPTCACNA1BKDM4E
SCHEMBL5220970 0.74 NOD2 (0.40) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL5623839 0.74 NOD2 (0.52) NOD2NOD1MAPTCACNA1BKDM4E
SCHEMBL24894603 0.72 NOD2 (0.62) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL29827958 0.72 NOD2 (0.62) NOD2NOD1KDM4ECRHBPCRHR2
SCHEMBL15817192 0.72 ADORA1 (0.39) NOD2NOD1CRHBPCRHR2SMN1; SMN2
SCHEMBL21703304 0.72 NOD2 (0.37) NOD2NOD1MAPTKDM4ECRHBP
SCHEMBL4037584 0.72 NOD2 (0.45) NOD2NOD1KDM4ECRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641796-B1 5HT2C RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY HOFFMANN LA ROCHE (CH) 2007-06-06 EP disclosed
US-7208494-B2 5HT2c receptor agonists HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
EP-1641796-A1 5HT2C RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2006-04-05 EP disclosed
US-20050026925-A1 5HT2c receptor agonists HOFFMANN-LA ROCHE INC. 2005-02-03 US disclosed
WO-2005000849-A1 5HT2C RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 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-20050026925-A1 5HT2c receptor agonists HTR2C, HTR2A, HTR5A NOD2 2274/4885NOD1 2471/4885MAPT 4520/4885

“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.