SCHEMBL105533

SCHEMBL105533

CC(C)NC12CC3CC(CC1C3)C2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.38
SLC47A1 Q96FL8 1/20 0.38
MAPT P10636 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10282272 0.73 GRIN2D (0.52) SLC22A2SLC47A1GRIN2DGRIN3BGRIN1
SCHEMBL18563079 0.73 GRIN2D (0.52) SLC22A2SLC47A1GRIN2DGRIN3BGRIN1
SCHEMBL105165 0.73 GRIN2D (0.52) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
SCHEMBL14583676 0.71 SLC22A2 (0.41) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
SCHEMBL24105933 0.70 EPHX2 (0.49) EPHX2ALDH1A1NPC1SMN1; SMN2
SCHEMBL14925564 0.68 DPP4 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17347042 0.68 DPP4 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18841447 0.64 EPHX2 (0.40) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
SCHEMBL14583672 0.64
SCHEMBL18841466 0.64 KMT2A (0.41) SLC22A2SLC47A1MAPTGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-06-01 US disclosed
US-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS BRIGHAM YOUNG UNIVERSITY (US) 2017-05-11 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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 (3 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 SLC22A2 2968/4885SLC47A1 2361/4885MAPT 4685/4885
US-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS HVCN1, TRPM8, TRPM2 SLC22A2 647/4885SLC47A1 266/4885MAPT 1217/4885
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 CLK1, CLK2, CLK3 SLC22A2 3395/4885SLC47A1 4401/4885MAPT 326/4885

“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.