SCHEMBL6076233

SCHEMBL6076233

CC(=O)NCC1=Cc2cc(N3CCOCC3)ccc2OC1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ESR1 P03372 1/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
LMNA P02545 1/20 0.38
MAOA P21397 1/20 0.38
PTGS1 P23219 1/20 0.38
MAOB P27338 1/20 0.38
CALML3 P27482 1/20 0.38
SDHA P31040 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

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
SCHEMBL5351838 0.80 ALOX5 (0.44) ALOX5ESR1
SCHEMBL5336707 0.79 ALOX5 (0.44) ALOX5
SCHEMBL7203246 0.78 MTNR1A (0.56) ALOX5MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6076955 0.74 ALOX5 (0.40) ALOX5MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6076237 0.73 MEN1 (0.38) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5344350 0.68 MTNR1A (0.41) ALOX5MAPTLMNAL3MBTL1CYP2C19
SCHEMBL12875543 0.67 EPHX2 (0.59) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL5206687 0.67 KMO (0.47) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL30634686 0.64 MAOB (0.52) MAPTLMNAMAOAPTGS1MAOB
Butanone SCHEMBL27655611 0.62 LMNA (0.63) MEN1KMT2AESR1MAPTALDH1A1

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 ALOX5 2867/4885MEN1 2067/4885KMT2A 1322/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR ALOX5 2867/4885MEN1 2067/4885KMT2A 1322/4885

“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.