SCHEMBL1978688

SCHEMBL1978688

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.44
MTNR1B P49286 4/20 0.39
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR2B P41595 2/20 0.37
PARP1 P09874 4/20 0.36
NOTUM Q6P988 2/20 0.35
HTR1A P08908 2/20 0.35
HTR1D P28221 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL1979576 0.87 HTR2B (0.50) MTNR1AMTNR1BALDH1A1HTR2BNOTUM
SCHEMBL1976609 0.85 MTNR1A (0.40) MTNR1AMTNR1BHTR2BPARP1NOTUM
SCHEMBL1976442 0.85 SPR (0.46) MTNR1AMTNR1BALDH1A1HTR2BPARP1
SCHEMBL1975895 0.84 MTNR1A (0.53) MTNR1AMTNR1BALDH1A1HTR2BPARP1
SCHEMBL1977036 0.84 MTNR1A (0.43) MTNR1AMTNR1BHTR2BPARP1
SCHEMBL1976202 0.82 MTNR1A (0.45) MTNR1AMTNR1BUSP2ALDH1A1HTR2B
SCHEMBL1983046 0.81 HTR1A (0.37) MTNR1AMTNR1BHTR2BPARP1HTR1A
SCHEMBL31105573 0.79 MPO (0.45) MTNR1AHTR2BPARP1HTR1AHTR1D
SCHEMBL1980304 0.78 HTR2A (0.51) HTR2BPARP1HTR1AHTR1DHTR2A
SCHEMBL2638570 0.77 GAA (0.41) HTR2BPARP1HTR1AHTR1DHTR2A

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 7 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
US-20110144178-A1 1 ,6-DIHYDRO-2H-3-OXA-6-AZA-AS-INDACENE COMPOUNDS FERRER INTERNACIONAL, S.A. (ES) 2011-06-16 US 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 MTNR1A 1/4885MTNR1B 2/4885USP2 3573/4885

“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.