SCHEMBL20337488

SCHEMBL20337488

O=C(O)N[C@@H]1C[C@H](C(F)(F)F)CC12CCNCC2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.33
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL20485654 1.00 SSTR4 (0.33) SSTR4CHRM2CHRM1CHRM3
SCHEMBL28445812 0.81 BTK (0.34)
SCHEMBL15653706 0.81 EPHX1 (0.34)
SCHEMBL21580813 0.72 SSTR4 (0.36) SSTR4
Hydrochloric Acid SCHEMBL25378648 0.71 SSTR4 (0.35) SSTR4
SCHEMBL22235811 0.71 EPHX1 (0.36) SSTR4
SCHEMBL21828958 0.68 EPHX1 (0.34) SSTR4
SCHEMBL20400066 0.68 EPHX1 (0.34) SSTR4
SCHEMBL21295169 0.67 SSTR4 (0.37) SSTR4
SCHEMBL21287726 0.66 BTK (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-02-16 US disclosed
EP-4017855-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS Otsuka Pharmaceutical Co., Ltd. (JP) 2022-06-29 EP disclosed
US-20210309663-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2021-10-07 US disclosed
US-10975080-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2021-04-13 US disclosed
WO-2021033153-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-25 WO disclosed
EP-3310771-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2020-07-22 EP disclosed
EP-3310774-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2020-04-29 EP disclosed
US-20190185475-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-06-20 US disclosed
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-06-04 US disclosed
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-05-14 US disclosed
EP-3310779-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2019-05-08 EP disclosed
US-20180251471-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-09-06 US disclosed
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-07-05 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 (8 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-20180251471-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN3, PTPN1, PTPN2 SSTR4 2824/4885CHRM2 820/4885CHRM1 941/4885
US-10975080-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN3, PTPN5 SSTR4 1405/4885CHRM2 989/4885CHRM1 1244/4885
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN2 SSTR4 2886/4885CHRM2 867/4885CHRM1 1110/4885
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN3, PTPN1, PTPN2 SSTR4 2824/4885CHRM2 820/4885CHRM1 941/4885
US-20190185475-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN5 SSTR4 1662/4885CHRM2 1371/4885CHRM1 1557/4885
US-20210309663-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN5 SSTR4 1662/4885CHRM2 1371/4885CHRM1 1557/4885
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN3, PTPN2 SSTR4 2777/4885CHRM2 893/4885CHRM1 1110/4885
US-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS PTPN5, PTPRZ1, PTPN1 SSTR4 1760/4885CHRM2 4611/4885CHRM1 4468/4885

“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.