SCHEMBL1980304

SCHEMBL1980304

NCCc1c[nH]c2cc(F)c3c(c12)CCO3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.51
HTR2C P28335 6/20 0.51
HTR2B P41595 4/20 0.51
HTR1D P28221 4/20 0.51
HTR1A P08908 3/20 0.51
PARP1 P09874 1/20 0.41
TRPM8 Q7Z2W7 3/20 0.40
MPO P05164 2/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
NFKB1 P19838 1/20 0.35
HTR1B P28222 1/20 0.35
HTR7 P34969 1/20 0.35
CTSK P43235 1/20 0.35
HTR6 P50406 1/20 0.35
CYP2A13 Q16696 1/20 0.35
TAAR1 Q96RJ0 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
SCHEMBL31105573 0.83 MPO (0.45) HTR2AHTR2CHTR2BHTR1DHTR1A
SCHEMBL2638570 0.82 GAA (0.41) HTR2AHTR2CHTR2BHTR1DHTR1A
SCHEMBL1983046 0.82 HTR1A (0.37) HTR2AHTR2CHTR2BHTR1DHTR1A
SCHEMBL1979576 0.80 HTR2B (0.50) HTR2BHTR1AMPOKMT2ACYP1A2
SCHEMBL1976609 0.78 MTNR1A (0.40) HTR2BPARP1
SCHEMBL1976442 0.78 SPR (0.46) HTR2BPARP1KMT2ACYP3A4
SCHEMBL1978688 0.78 MTNR1A (0.44) HTR2AHTR2CHTR2BHTR1DHTR1A
SCHEMBL31105757 0.76 HTR1A (0.44) HTR2AHTR2CHTR2BHTR1DHTR1A
SCHEMBL2639532 0.75 HTR2A (0.43) HTR2AHTR2CHTR2BHTR1DHTR1A
SCHEMBL31105598 0.74 MPO (0.46) HTR2AHTR2CHTR2BHTR1DHTR1A

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
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 HTR2A 40/4885HTR2C 59/4885HTR2B 133/4885

“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.