SCHEMBL25799587

SCHEMBL25799587

CCCOc1cccc(C2(CN)C3CC4CC(C3)CC2C4)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
HSD11B1 P28845 5/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.37
BACE1 P56817 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35
FAAH O00519 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DHFR P00374 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
FPR2 P25090 1/20 0.34

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
SCHEMBL25799597 0.94 GRIN1 (0.46) GRIN1GRIN2AGRIN2BHSD11B1KMT2A
SCHEMBL21036696 0.81 HSD11B1 (0.37) HSD11B1KMT2AMEN1ALDH1A1LMNA
SCHEMBL21036698 0.80 CA12 (0.40) HSD11B1KMT2AMEN1
SCHEMBL6898757 0.77 HSD11B1 (0.43) HSD11B1KMT2AMEN1
SCHEMBL6685193 0.76 HTR2C (0.46) HSD11B1KMT2ASLC6A2SLC6A4MEN1
SCHEMBL21036695 0.76 HSD11B1 (0.41) HSD11B1KMT2AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL6897736 0.76 HSD11B1 (0.42) HSD11B1
Hydrochloric Acid SCHEMBL6896770 0.75 HTR2C (0.48) HSD11B1KMT2ASLC6A2SLC6A4OPRM1
SCHEMBL21036617 0.74 HSD11B1 (0.32) HSD11B1
SCHEMBL6684735 0.74 KDM1A (0.47) HSD11B1SLC6A2SLC6A4

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-20230218548-A1 NITRO-AMINOADAMANTANE COMPOUNDS FOR THE TREATMENT OF BETACORONAVIRUS INFECTIONS EUMENTIS THERAPEUTICS, INC. 2023-07-13 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-20230218548-A1 NITRO-AMINOADAMANTANE COMPOUNDS FOR THE TREATMENT OF BETACORONAVIRUS INFECTIONS ACE2, ACE, MME GRIN1 429/4885GRIN2A 865/4885GRIN2B 557/4885

“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.