SCHEMBL23595693

SCHEMBL23595693

CN[C@@]1(c2cccnc2)CCCCC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.50
GRIN2A Q12879 4/20 0.50
SLC6A4 P31645 2/20 0.50
GRIN2B Q13224 2/20 0.50
LMNA P02545 2/20 0.50
OPRK1 P41145 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
OPRM1 P35372 1/20 0.50
CACNA1C Q13936 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
P2RX7 Q99572 3/20 0.40
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.36
IDO1 P14902 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL24815325 1.00 GRIN1 (0.50) GRIN1GRIN2ASLC6A4GRIN2BLMNA
[11C]Ketamine SCHEMBL8154269 0.81 GRIN1 (0.62) GRIN1GRIN2ASLC6A4GRIN2BLMNA
[11C]Ketamine SCHEMBL23579509 0.81 GRIN1 (0.62) GRIN1GRIN2ASLC6A4GRIN2BLMNA
[11C]Ketamine SCHEMBL23579178 0.81 GRIN1 (0.62) GRIN1GRIN2ASLC6A4GRIN2BLMNA
[11C]Ketamine SCHEMBL8154919 0.80 GRIN1 (0.60) GRIN1GRIN2ASLC6A4GRIN2BLMNA
SCHEMBL9217088 0.76 P2RX7 (0.38) GRIN1GRIN2ASLC6A4GRIN2BLMNA
SCHEMBL9372889 0.76 P2RX7 (0.38) GRIN1GRIN2ASLC6A4GRIN2BLMNA
SCHEMBL1617477 0.76 ALDH1A1 (0.41) LMNAOPRM1P2RX7ALDH1A1POLB
SCHEMBL9329116 0.75 P2RX7 (0.38) GRIN1GRIN2ASLC6A4GRIN2BLMNA
SCHEMBL24462784 0.75 GRIN1 (0.51) GRIN1GRIN2ASLC6A4GRIN2BLMNA

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
WO-2023154450-A2 (AMPA-PAM)-NMDA RECEPTOR ANTAGONIST COMBINATION THERAPY FOR TREATMENT OF MENTAL CONDITIONS AND DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2023-08-17 WO disclosed
US-20220409555-A1 ARYLCYCLOHEXYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS GILGAMESH PHARMACEUTICALS INC (US) 2022-12-29 US disclosed
US-11344510-B2 Arylcyclohexylamine derivatives and their use in the treatment of psychiatric disorders GILGAMESH PHARMACEUTICALS, INC. (US) 2022-05-31 US disclosed
WO-2021134086-A1 ARYLCYCLOHEXYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2021-07-01 WO 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-11344510-B2 Arylcyclohexylamine derivatives and their use in the treatment of psychiatric disorders HTR2C, PNMT, HTR2A GRIN1 83/4885GRIN2A 19/4885SLC6A4 20/4885
US-20220409555-A1 ARYLCYCLOHEXYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS HTR2C, PNMT, HTR2A GRIN1 75/4885GRIN2A 14/4885SLC6A4 18/4885

“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.