SCHEMBL15420907

SCHEMBL15420907

O=C(O)c1nn(-c2ccccn2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.53
RORC P51449 4/20 0.50
FFAR4 Q5NUL3 7/20 0.45
RAB9A P51151 1/20 0.43
SCN9A Q15858 1/20 0.43
STAT1 P42224 1/20 0.43
ALKBH2 Q6NS38 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42

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
SCHEMBL15444714 0.87 HTR3A (0.55) HTR3ARORCFFAR4RAB9A
SCHEMBL15440829 0.83 HTR3A (0.54) HTR3ARORCFFAR4RAB9A
SCHEMBL23812510 0.83 HTR3A (0.52) HTR3ARORCFFAR4RAB9A
SCHEMBL16516601 0.82 RORC (0.43) HTR3ARORCSCN9ASTAT1
SCHEMBL7421574 0.79 SCN9A (0.58) RORCSCN9ASTAT1
SCHEMBL3153838 0.78 RAB9A (0.47) HTR3AFFAR4RAB9A
SCHEMBL23877758 0.77 KDM4E (0.46) HTR3ARORCSCN9ASTAT1
SCHEMBL16517332 0.76 RORC (0.51) RORCSCN9ASTAT1
SCHEMBL18131343 0.74 RAB9A (0.47) HTR3ARAB9ASCN9A
SCHEMBL9024249 0.74 ALDH1A1 (0.57) RORCSCN9ASTAT1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312169-B1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-09-15 EP disclosed
US-10407443-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-10 US disclosed
US-20180327421-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2018-11-15 US disclosed
US-10125145-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-11-13 US disclosed
EP-3312169-A1 5-HT3 RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2018-04-25 EP disclosed
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2017-09-14 US disclosed
US-9670229-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-06-06 US disclosed
US-20160251373-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2016-09-01 US disclosed
US-9346829-B2 5-HT3 receptor antagonists TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 US disclosed
US-20150182533-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-02 US disclosed
EP-2875011-A1 5-HT3 RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2015-05-27 EP disclosed
US-9012447-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-21 US disclosed
WO-2014014951-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. (US) 2014-01-23 WO disclosed
US-20140024644-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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 (7 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-10407443-B2 5-HT3 receptor antagonists HTR3A, HTR3B, HTR5A HTR3A 1/4885RORC 3780/4885FFAR4 316/4885
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885RORC 3780/4885FFAR4 316/4885
US-20150182533-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR3E HTR3A 1/4885RORC 4377/4885FFAR4 275/4885
US-20180327421-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885RORC 3780/4885FFAR4 316/4885
US-20140024644-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885RORC 3780/4885FFAR4 316/4885
US-20160251373-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885RORC 3780/4885FFAR4 316/4885
US-10125145-B2 5-HT3 receptor antagonists HTR3A, HTR3B, HTR5A HTR3A 1/4885RORC 3780/4885FFAR4 316/4885

“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.