SCHEMBL25855001

SCHEMBL25855001

CC(C)(C)N1CCC2(CCc3cccnc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
KCNH2 Q12809 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
OPRM1 P35372 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SIGMAR1 Q99720 16/20 0.39
HTR2A P28223 4/20 0.36
HTR2C P28335 4/20 0.36
HTR2B P41595 4/20 0.36
DRD2 P14416 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL22545216 0.84 SIGMAR1 (0.50) CHRM2CHRM1KCNH2SIGMAR1HTR2A
SCHEMBL22520497 0.79 CYP2D6 (0.41) KCNH2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL25856277 0.79 SIGMAR1 (0.39) CHRM2CHRM1KCNH2SIGMAR1HTR2A
SCHEMBL23509307 0.78 SIGMAR1 (0.34) SIGMAR1HTR2AHTR2CHTR2BOPRL1
SCHEMBL8243455 0.77 POLB (0.50) TSHROPRK1
SCHEMBL8101149 0.75 SIGMAR1 (0.56) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL21887220 0.73 PTPN11 (0.46) CHRM2CHRM1KCNH2GRIN2DGRIN3B
SCHEMBL326696 0.73 SIGMAR1 (0.64) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL12219028 0.73 OPRM1 (0.44) CHRM2CHRM1KCNH2GRIN2DGRIN3B
SCHEMBL8243326 0.73 ALDH1A1 (0.38) CHRM2CHRM1KCNH2OPRM1SIGMAR1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-11702392-B2 Pyrimidinone derivatives as SHP2 antagonists PTPN5, PTPN1, PTPN2 CHRM2 4863/4885CHRM1 4859/4885KCNH2 4267/4885

“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.