SCHEMBL20799595

SCHEMBL20799595

CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]2CNC[C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNA7 P36544 1/20 0.35
HCRTR2 O43614 1/20 0.35
GAA P10253 2/20 0.34
CACNA1H O95180 1/20 0.34
EPHX2 P34913 3/20 0.33
EPHX1 P07099 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BTK Q06187 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
SCHEMBL20799596 1.00 MEN1 (0.40) MEN1MAPK1KMT2ACHRNB2CHRNB4
SCHEMBL20811244 1.00 MEN1 (0.40) MEN1MAPK1KMT2ACHRNB2CHRNB4
SCHEMBL17191703 0.81 MEN1 (0.43) MEN1MAPK1KMT2AHCRTR2GAA
SCHEMBL17191704 0.81 MAPK1 (0.40) MEN1MAPK1KMT2AHCRTR2GAA
SCHEMBL15908108 0.80 MEN1 (0.44) MEN1MAPK1KMT2AHCRTR2GAA
SCHEMBL15306517 0.80 MEN1 (0.44) MEN1MAPK1KMT2AHCRTR2GAA
SCHEMBL15306518 0.80 MEN1 (0.44) MEN1MAPK1KMT2AHCRTR2GAA
SCHEMBL20810976 0.79 MEN1 (0.39) MEN1MAPK1KMT2AHCRTR2CACNA1H
SCHEMBL16654033 0.79 MEN1 (0.37) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL20811240 0.79 MEN1 (0.37) MEN1MAPK1KMT2ACHRNB2CHRNB4

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
WO-2020248972-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2020-12-17 WO disclosed
US-10435389-B2 Octahydrocyclopenta[c]pyrrole allosteric inhibitors of SHP2 Krouzon Pharmaccuticals, Inc. (US) 2019-10-08 US disclosed
US-20190077792-A1 Octahydrocyclopenta[c]pyrrole Allosteric Inhibitors of SHP2 Krouzon Pharmaceuticals, Inc. 2019-03-14 US disclosed
WO-2019051469-A1 OCTAHYDROCYCLOPENTA[C]PYRROLE ALLOSTERIC INHIBITORS OF SHP2 Krouzon Pharmaceuticals, Inc. (US) 2019-03-14 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 (2 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-20190077792-A1 Octahydrocyclopenta[c]pyrrole Allosteric Inhibitors of SHP2 PTPN1, PTPN2, PTPN7 MEN1 3918/4885MAPK1 338/4885KMT2A 1077/4885
US-10435389-B2 Octahydrocyclopenta[c]pyrrole allosteric inhibitors of SHP2 PTPN1, PTPN2, PTPN7 MEN1 3918/4885MAPK1 338/4885KMT2A 1077/4885

“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.