SCHEMBL26452072

SCHEMBL26452072

CC(C)OC(=O)NC1(c2ccccc2)CCCCC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.40
▸ GRIN1 Q05586 2/20 0.40
▸ GRIN2A Q12879 2/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL4407465 0.83 GRIN1 (0.61) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
SCHEMBL26451008 0.82 SLC6A4 (0.40) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
SCHEMBL23596011 0.77 GRIN1 (0.48) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
SCHEMBL23579031 0.77 GRIN1 (0.48) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
SCHEMBL23579017 0.77 GRIN1 (0.48) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
SCHEMBL28605874 0.75 SMN1; SMN2 (0.44) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
[11C]Ketamine SCHEMBL23579509 0.74 GRIN1 (0.62) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
[11C]Ketamine SCHEMBL8154269 0.74 GRIN1 (0.62) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
[11C]Ketamine SCHEMBL23579178 0.74 GRIN1 (0.62) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
[11C]Ketamine SCHEMBL8154919 0.72 GRIN1 (0.60) SLC6A4GRIN1GRIN2AOPRK1GRIN2D

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-20230139975-A1 Arylcyclohexylamine derivatives and process for preparing same Technische Hochschule Köln (DE) 2023-05-04 — — 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-20230139975-A1 Arylcyclohexylamine derivatives and process for preparing same DDC, AADAT, SNCA SLC6A4 538/4885GRIN1 166/4885GRIN2A 151/4885

“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.

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