SCHEMBL24422207

SCHEMBL24422207

CC(C)(C)N1CCC(O)(c2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.59
GRIN2D O15399 1/20 0.59
GRIN3B O60391 1/20 0.59
CHRM2 P08172 1/20 0.59
CHRM1 P11229 1/20 0.59
GRIN1 Q05586 1/20 0.59
KCNH2 Q12809 1/20 0.59
GRIN2A Q12879 1/20 0.59
GRIN2B Q13224 1/20 0.59
GRIN2C Q14957 1/20 0.59
GRIN3A Q8TCU5 1/20 0.59
OPRL1 P41146 14/20 0.51
OPRK1 P41145 11/20 0.51
OPRD1 P41143 10/20 0.51
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
HSD11B1 P28845 1/20 0.45

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
SCHEMBL2629517 0.91 OPRM1 (0.70) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL12363963 0.90 OPRM1 (0.51) OPRM1GRIN2DGRIN3BCHRM2CHRM1
Hydrochloric Acid SCHEMBL10752401 0.89 OPRM1 (0.50) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL18115648 0.85 ALDH1A1 (0.58) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL20003963 0.85 OPRM1 (0.62) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL16936786 0.83 MAPT (0.51) OPRM1OPRL1OPRK1OPRD1POLB
SCHEMBL2483404 0.82 ALDH1A1 (0.53) OPRM1CHRM2CHRM1KCNH2OPRL1
SCHEMBL1205908 0.77 OPRM1 (0.61) OPRM1OPRL1OPRK1OPRD1POLB
SCHEMBL15818656 0.76 OPRM1 (0.64) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL18840237 0.76 OPRM1 (0.59) OPRM1GRIN2DGRIN3BCHRM2CHRM1

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-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-05-12 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-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor MIF, MMP12, SLC11A2 OPRM1 2541/4885GRIN2D 3746/4885GRIN3B 1896/4885

“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.