SCHEMBL1979576

SCHEMBL1979576

CC(=O)NCCc1c[nH]c2cc(F)c3c(c12)CCO3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.50
MTNR1A P48039 15/20 0.48
MTNR1B P49286 14/20 0.48
NOTUM Q6P988 3/20 0.48
CYP1A2 P05177 5/20 0.44
CYP3A4 P08684 4/20 0.44
CYP2D6 P10635 4/20 0.44
BLM P54132 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44
IDO1 P14902 1/20 0.44
SPR P35270 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
CYP2C19 P33261 2/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL1976609 0.89 MTNR1A (0.40) HTR2BMTNR1AMTNR1BNOTUMSPR
SCHEMBL1976442 0.89 SPR (0.46) HTR2BMTNR1AMTNR1BNOTUMCYP3A4
SCHEMBL1977036 0.88 MTNR1A (0.43) HTR2BMTNR1AMTNR1BSPRMEN1
SCHEMBL1978688 0.87 MTNR1A (0.44) HTR2BMTNR1AMTNR1BNOTUMALDH1A1
SCHEMBL1975895 0.86 MTNR1A (0.53) HTR2BMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL31105573 0.83 MPO (0.45) HTR2BMTNR1AMPOHTR1ASLC6A4
SCHEMBL1983046 0.82 HTR1A (0.37) HTR2BMTNR1AMTNR1BHTR1ASLC6A4
SCHEMBL1981297 0.81 HTR2B (0.48) HTR2BMTNR1AMTNR1BNOTUMCYP1A2
SCHEMBL1980304 0.80 HTR2A (0.51) HTR2BCYP1A2CYP3A4CYP2D6KMT2A
SCHEMBL2638570 0.78 GAA (0.41) HTR2BNPSR1MPOHTR1ASLC6A4

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
US-8227501-B2 1,6-dihydro-2H-3-oxa-6-aza-as-indacene compounds FERRER INTERNACIONAL, S.A. (ES) 2012-07-24 US claimed
JP-2011529477-A 2011-12-08 JP claimed
EP-2350088-A1 1,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS Ferrer Internacional, S.A. (ES) 2011-08-03 EP claimed
US-20110144178-A1 1 ,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS FERRER INTERNACIONAL, S.A. (ES) 2011-06-16 US claimed
WO-2010012789-A1 1,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS FERRER INTERNACIONAL S. A. (ES) 2010-02-04 WO claimed
US-8227501-B2 1,6-dihydro-2H-3-oxa-6-aza-as-indacene compounds FERRER INTERNACIONAL, S.A. (ES) 2012-07-24 US disclosed
EP-2350088-A1 1,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS Ferrer Internacional, S.A. (ES) 2011-08-03 EP disclosed
US-20110144178-A1 1 ,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS FERRER INTERNACIONAL, S.A. (ES) 2011-06-16 US disclosed
WO-2010012789-A1 1,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS FERRER INTERNACIONAL S. A. (ES) 2010-02-04 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-20110144178-A1 1 ,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS MTNR1A, MTNR1B, ADORA2A HTR2B 133/4885MTNR1A 1/4885MTNR1B 2/4885

“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.