SCHEMBL25833604

SCHEMBL25833604

CC(C)(C)N1CCC2(CC1)Cc1cccnc1O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTR3A P46098 1/20 0.44
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRM1 P35372 1/20 0.39
GRIN1 Q05586 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
OTUD7B Q6GQQ9 2/20 0.32
ACACB O00763 1/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 0.31

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
SCHEMBL13162862 0.85 CHRNB2 (0.48) CHRNB2CHRNA7CHRNA4HTR3ACHRM2
SCHEMBL22402147 0.81 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4HTR3AKCNH2
SCHEMBL2629510 0.77 KCNH2 (0.46) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL13161926 0.75 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4HTR3AOPRM1
SCHEMBL29634730 0.75 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4HTR3AOPRM1
SCHEMBL24151831 0.72 CHRNB2 (0.39) CHRNB2CHRNA7CHRNA4HTR3AKCNH2
SCHEMBL23509314 0.71 GRIN2D (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL23509329 0.70 PTPN11 (0.48) CHRNB2CHRNA7CHRNA4HTR3AGRIN2D
SCHEMBL22523799 0.70 PTPN11 (0.48) CHRNB2CHRNA7CHRNA4HTR3AGRIN2D
SCHEMBL25070433 0.70 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4HTR3A

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
US-11702392-B2 Pyrimidinone derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2023-07-18 US disclosed
US-11702392-B2 Pyrimidinone derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2023-07-18 US disclosed
US-11696916-B2 Carboxamide-pyrimidine derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2023-07-11 US disclosed
US-11696916-B2 Carboxamide-pyrimidine derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2023-07-11 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-11696916-B2 Carboxamide-pyrimidine derivatives as SHP2 antagonists PTPN5, PTPN2, PTPN1 CHRNB2 4401/4885CHRNA7 4418/4885CHRNA4 4526/4885
US-11702392-B2 Pyrimidinone derivatives as SHP2 antagonists PTPN5, PTPN1, PTPN2 CHRNB2 4845/4885CHRNA7 4848/4885CHRNA4 4881/4885

“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.