SCHEMBL4041345

SCHEMBL4041345

C[C@@H](CO)CCC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
RIPK1 Q13546 2/20 0.37
TDP1 Q9NUW8 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
SCHEMBL4036012 1.00 TSHR (0.50) TSHRRIPK1TDP1
SCHEMBL2146861 1.00 TSHR (0.50) TSHRRIPK1TDP1
SCHEMBL6231047 0.81 TSHR (0.48) TSHRTDP1
SCHEMBL18125121 0.81 TSHR (0.48) TSHRTDP1
SCHEMBL746944 0.79 TSHR (0.46) TSHRTDP1
SCHEMBL18125194 0.79 TSHR (0.46) TSHRTDP1
SCHEMBL18125112 0.79 TSHR (0.46) TSHRTDP1
SCHEMBL14928405 0.78 TSHR (0.50) TSHRTDP1
SCHEMBL19118274 0.78 MEN1 (0.42) RIPK1
SCHEMBL336397 0.77 TSHR (0.44) TSHR

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-7531545-B2 2-amino-3,4-dihydro-pyrido[3,4-d]pyrimidine derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-12 US disclosed
US-20070259898-A1 NOVEL 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) BAXTER ELLEN E 2007-11-08 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-20070259898-A1 NOVEL 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) BACE2, PSEN2, BACE1 TSHR 4866/4885RIPK1 2028/4885TDP1 604/4885

“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.