SCHEMBL15420987

SCHEMBL15420987

O=C(O)NC1C[C@H]2COC[C@@H](C1)N2C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 19/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL15420986 1.00 HTR3A (0.37) HTR3AMEN1KMT2A
Trifluoroacetic Acid SCHEMBL15420968 0.75
SCHEMBL17176282 0.74
SCHEMBL9990084 0.70
SCHEMBL15440840 0.70
SCHEMBL2012289 0.68 CD38 (0.38)
SCHEMBL29876794 0.68 SETD2 (0.37) KMT2A
SCHEMBL29876993 0.68 SETD2 (0.37) KMT2A
SCHEMBL23573431 0.67 ATM (0.36) MEN1KMT2A
SCHEMBL15421594 0.67 ATM (0.46) HTR3A

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 18 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
EP-2875012-B1 5HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2019-09-04 EP 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-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS TAKEDA CALIFORNIA, INC. 2018-03-15 US disclosed
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2017-09-14 US disclosed
US-9695195-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-07-04 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-20160185801-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL (JP) 2016-06-30 US disclosed
US-9346829-B2 5-HT3 receptor antagonists TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 US disclosed
US-9303045-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-05 US disclosed
US-20150291624-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-15 US disclosed
US-20150182533-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-02 US disclosed
US-9012447-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-21 US 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 (10 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 1/4885MEN1 1949/4885KMT2A 3143/4885
US-20160185801-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR5A, HTR3B HTR3A 1/4885MEN1 1684/4885KMT2A 2562/4885
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885MEN1 1949/4885KMT2A 3143/4885
US-20150182533-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR3E HTR3A 1/4885MEN1 2883/4885KMT2A 1796/4885
US-20150291624-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR5A, HTR3B HTR3A 1/4885MEN1 1684/4885KMT2A 2562/4885
US-20180327421-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885MEN1 1949/4885KMT2A 3143/4885
US-20140024644-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885MEN1 1949/4885KMT2A 3143/4885
US-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885MEN1 1495/4885KMT2A 2286/4885
US-20160251373-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885MEN1 1949/4885KMT2A 3143/4885
US-10125145-B2 5-HT3 receptor antagonists HTR3A, HTR3B, HTR5A HTR3A 1/4885MEN1 1949/4885KMT2A 3143/4885

“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.