SCHEMBL20964347

SCHEMBL20964347

CC(C)(C)N1CCC2(CC1)CC1CC1C2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
OPRM1 P35372 1/20 0.37
GRIN1 Q05586 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37

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
SCHEMBL26138672 0.79 GRIN2D (0.35) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL17886885 0.78 GRIN2D (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL22098619 0.78 GRIN2D (0.37) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL23277932 0.78 GRIN2D (0.37) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL14593633 0.78 GRIN2D (0.37) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL117165 0.78 GRIN2D (0.46) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL15781123 0.76 GRIN2D (0.45) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL22874110 0.75 GRIN2D (0.35) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL25471242 0.75 GRIN2D (0.35) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL27115979 0.75 GRIN2D (0.35) GRIN2DGRIN3BCHRM2CHRM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858359-B2 Heterocyclic ring derivatives useful as SHP2 inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-12-08 US disclosed
US-20190127378-A1 NOVEL HETEROCYCLIC RING DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2019-05-02 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 (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-10858359-B2 Heterocyclic ring derivatives useful as SHP2 inhibitors PTPRJ, PTPN22, PTPRCAP GRIN2D 3417/4885GRIN3B 3122/4885CHRM2 4854/4885
US-20190127378-A1 NOVEL HETEROCYCLIC RING DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN22, PTPN1, PTPRJ GRIN2D 3559/4885GRIN3B 3480/4885CHRM2 4873/4885

“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.