SCHEMBL5218804

SCHEMBL5218804

CCOC(=O)c1cc2cc(C)cnc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HSD17B10 Q99714 1/20 0.57
NPC1 O15118 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
ALOX15 P16050 1/20 0.48
MMP13 P45452 7/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ABL1 P00519 6/20 0.46

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
SCHEMBL24201478 0.87 KDM4E (0.49) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL17324213 0.86 ABL1 (0.56) ABL1SRC
SCHEMBL14802296 0.86 ALOX15 (0.59) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL5218433 0.86 KDM4E (0.51) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1313379 0.86 KDM4E (0.48) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL833789 0.86 KDM4E (0.48) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3099393 0.85 RAB9A (0.60) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL833129 0.82 ABL1 (0.47) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL2872235 0.80 KDM4E (0.46) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL13625357 0.80 ABL1 (0.42) ABL1SRC

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 KDM4E 2079/4885ALDH1A1 428/4885HPGD 1891/4885

“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.