SCHEMBL5221628

SCHEMBL5221628

CCOC(=O)c1cc2cc(OCC)c(Cl)nc2n1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.35
NOD2 Q9HC29 2/20 0.35
NOD1 Q9Y239 2/20 0.35
SYK P43405 1/20 0.34
CASP1 P29466 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ATM Q13315 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL5220266 0.88 NOD2 (0.37) POLBTP53SMN1; SMN2MEN1LMNA
SCHEMBL5222402 0.87 NOD2 (0.35) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL5220157 0.87 NOD2 (0.36) POLBTP53SMN1; SMN2MEN1LMNA
SCHEMBL5220154 0.85 KMT2A (0.39) POLBTP53SMN1; SMN2MEN1LMNA
SCHEMBL5223580 0.80 HPGD (0.38) POLBTP53ALDH1A1HPGDNOD2
SCHEMBL5220970 0.80 NOD2 (0.40) POLBTP53SMN1; SMN2MEN1LMNA
SCHEMBL4598165 0.79 NOD2 (0.44) SMN1; SMN2MEN1LMNAKMT2AALDH1A1
SCHEMBL2875438 0.79 NOD2 (0.37) POLBTP53SMN1; SMN2MEN1LMNA
SCHEMBL5223527 0.78 NOD2 (0.36) SMN1; SMN2MEN1KMT2AALDH1A1NOD2
SCHEMBL2874673 0.78 SRD5A1 (0.41) POLBSMN1; SMN2LMNAKMT2AALDH1A1

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 POLB 3913/4885TP53 4875/4885SMN1; SMN2 2315/4885

“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.