SCHEMBL6076237

SCHEMBL6076237

CC(=O)NCC1=c2ccc(N3CCOCC3)cc2=COC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 5/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PRKDC P78527 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMO O15229 1/20 0.37
CASP3 P42574 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL5351841 0.82 MTNR1A (0.34) KMT2AMAPTALDH1A1
SCHEMBL7203251 0.78 MTNR1A (0.43) SMN1; SMN2
SCHEMBL6076964 0.74 MCL1 (0.34) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6076233 0.73 ALOX5 (0.39) MEN1KMT2AMAPTHTR2AHTR2C
SCHEMBL12875543 0.67 EPHX2 (0.59) MEN1KMT2AMAPTSMN1; SMN2PRKDC
Butanone SCHEMBL27655611 0.62 LMNA (0.63) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21154620 0.60 MTNR1A (0.39) KMT2AHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL5063561 0.60 PRKDC (0.62) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL13019562 0.60 PRKDC (0.45) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2755879 0.60 ERCC1 (0.58) KMT2AMAPTSMN1; SMN2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077927-B1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2005-12-07 EP claimed
CN-1304400-A Novel substituted cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-07-18 CN claimed
US-7126012-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-24 US disclosed
US-7115752-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-03 US disclosed
US-20050124682-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-06-09 US disclosed
US-6872851-B1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATORIES SERVIER (FR) 2005-03-29 US disclosed
US-20050059729-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-03-17 US disclosed
EP-1077927-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed
WO-1999058495-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 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 (2 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-20050059729-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MEN1 2067/4885KMT2A 1322/4885MAPT 3560/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MEN1 2067/4885KMT2A 1322/4885MAPT 3560/4885

“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.