SCHEMBL24740359

SCHEMBL24740359

CN1CCCCC12CCNC2=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 1/20 0.38
OTUD7B Q6GQQ9 1/20 0.34
SOS1 Q07889 1/20 0.33
SOS2 Q07890 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
SLC6A9 P48067 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL16750986 0.94 GRIN1 (0.36) GRIN1GRIN2AGRIN2BOTUD7BSOS1
SCHEMBL16751010 0.86 GRIN1 (0.38) GRIN1GRIN2AGRIN2BOTUD7BSOS1
SCHEMBL17608866 0.83 HSD17B10 (0.41) GRIN1GRIN2AGRIN2BOTUD7BSOS1
SCHEMBL12121672 0.79 OTUD7B (0.34) GRIN1GRIN2AGRIN2BOTUD7BSOS1
SCHEMBL19329547 0.78 HSD17B10 (0.44) OTUD7BSOS1SOS2HSD17B10
SCHEMBL18800970 0.78 SLC6A9 (0.38) OPRM1OPRL1SLC6A9HSD17B10
SCHEMBL19852916 0.78 GRIN1 (0.34) GRIN1GRIN2AGRIN2BOTUD7B
SCHEMBL12028851 0.76 SLC6A9 (0.34) SOS1SOS2OPRM1OPRL1SLC6A9
SCHEMBL23556729 0.76 SOS1 (0.44) GRIN1GRIN2AGRIN2BOTUD7BSOS1
SCHEMBL19852849 0.75 HSD11B1 (0.44) GRIN1GRIN2AGRIN2BOTUD7BOPRM1

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-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 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-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL GRIN1 4507/4885GRIN2A 4676/4885GRIN2B 4555/4885

“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.