SCHEMBL21933684

SCHEMBL21933684

CC(N)CC(C)(C)c1ccc(C(C)CC(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.37
GRIA4 P48058 2/20 0.35
RIPK1 Q13546 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SHBG P04278 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL21929515 0.81 SHBG (0.39) PDE2AGRIA4RIPK1SHBG
SCHEMBL5918492 0.80 RIPK1 (0.46) GRIA4RIPK1
SCHEMBL20926041 0.79 SHBG (0.53) PDE2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3151324 0.78 MAPT (0.49) PDE2AGRIA4RIPK1GRIN2DGRIN3B
SCHEMBL10794218 0.76 TSHR (0.43) GRIA4RIPK1
SCHEMBL6628636 0.76 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24533708 0.76 GRIA4 (0.38) PDE2AGRIA4RIPK1GRIN2BSHBG
SCHEMBL10831632 0.75 TAAR1 (0.56) SLC6A4
SCHEMBL12384045 0.74 PDE2A (0.43) PDE2A
SCHEMBL3480352 0.74 SHBG (0.52) SHBGSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149066-B2 Thrombospondin 1-binding peptide DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-10-19 US disclosed
US-20200131230-A1 THROMBOSPONDIN 1-BINDING PEPTIDE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-04-30 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 (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-11149066-B2 Thrombospondin 1-binding peptide SERPINC1, TEK, ARGLU1 PDE2A 4446/4885GRIA4 1608/4885RIPK1 1243/4885
US-20200131230-A1 THROMBOSPONDIN 1-BINDING PEPTIDE SERPINC1, TEK, ARGLU1 PDE2A 4446/4885GRIA4 1608/4885RIPK1 1243/4885

“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.