SCHEMBL1978270

SCHEMBL1978270

c1cc2c3c(ccc2[nH]1)OCC3

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1D P28221 13/20 0.39
HTR1B P28222 8/20 0.39
HTR2A P28223 5/20 0.36
HTR2C P28335 5/20 0.36
HTR2B P41595 5/20 0.36
HTR1A P08908 4/20 0.36
HTR6 P50406 2/20 0.34
HTR4 Q13639 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR7 P34969 1/20 0.34
AHR P35869 1/20 0.33
CREBBP Q92793 1/20 0.33
PARP1 P09874 1/20 0.33
SLC9A1 P19634 1/20 0.32

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
SCHEMBL6092206 0.89 HTR1D (0.47) MEN1KMT2AHTR1DHTR1BHTR2A
SCHEMBL1536405 0.77 PARP1 (0.39) MEN1KMT2APARP1
SCHEMBL4266397 0.77 HTR1D (0.34) MEN1KMT2AHTR1DHTR1BHTR2A
SCHEMBL3900178 0.76 ADRA2A (0.39) HTR1AADRA2AADRA2CAHRCREBBP
SCHEMBL2043007 0.75 OXTR (0.38) HTR1DHTR1BHTR6AHRPARP1
SCHEMBL2002050 0.72 CREBBP (0.46) HTR1DAHRCREBBP
SCHEMBL6109246 0.71 HTR1D (0.38) HTR1DHTR1BHTR1A
SCHEMBL29532058 0.70 TNF (0.35) MEN1KMT2AHTR1DHTR2AHTR2C
SCHEMBL4829239 0.70 TNF (0.35) MEN1KMT2AHTR1DHTR2AHTR2C
SCHEMBL19776163 0.70 MEN1 (0.42) MEN1KMT2A

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 4 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 disclosed
US-8227501-B2 1,6-dihydro-2H-3-oxa-6-aza-as-indacene compounds FERRER INTERNACIONAL, S.A. (ES) 2012-07-24 US disclosed
CN-102112480-A 1, 6-dihydro-2H-3-oxa-6-aza-as-indacene compounds FERRER INT 2011-06-29 CN 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 MEN1 1086/4885KMT2A 895/4885HTR1D 52/4885

“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.