SCHEMBL20986909

SCHEMBL20986909

CC1=C(C)C(=O)N([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
FPR2 P25090 1/20 0.46
HPGD P15428 1/20 0.45
HCAR1 Q9BXC0 1/20 0.43
PREP P48147 2/20 0.41
HTR2A P28223 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
USP30 Q70CQ3 1/20 0.41
BACE1 P56817 2/20 0.40
CTSD P07339 1/20 0.40
TP53 P04637 1/20 0.40
EPHX1 P07099 1/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
PRMT5 O14744 1/20 0.39

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
SCHEMBL20986907 1.00 MAPT (0.47) MAPTMEN1ALDH1A1KMT2AFPR2
SCHEMBL1025817 0.85 TMEM97 (0.54) MAPTMEN1ALDH1A1KMT2AFPR2
SCHEMBL20986939 0.84 FPR2 (0.48) MAPTMEN1ALDH1A1KMT2AFPR2
SCHEMBL20986940 0.84 FPR2 (0.48) MAPTMEN1ALDH1A1KMT2AFPR2
SCHEMBL20986941 0.84 FPR2 (0.48) MAPTMEN1ALDH1A1KMT2AFPR2
SCHEMBL20986896 0.80 TMEM97 (0.46) MAPTMEN1ALDH1A1KMT2AHTR2A
SCHEMBL1692672 0.80 MAPT (0.44) MAPTMEN1ALDH1A1KMT2AFPR2
SCHEMBL16763628 0.80 FPR2 (0.52) MAPTMEN1ALDH1A1KMT2AFPR2
SCHEMBL27175858 0.80 FPR2 (0.52) MAPTMEN1ALDH1A1KMT2AFPR2
SCHEMBL16763626 0.80 FPR2 (0.52) MAPTMEN1ALDH1A1KMT2AFPR2

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-20190152992-A1 BENZODIOXANE DERIVATIVES AND THEIR PHARMACEUTICAL USE ORION CORPORATION (FI) 2019-05-23 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-20190152992-A1 BENZODIOXANE DERIVATIVES AND THEIR PHARMACEUTICAL USE TBXA2R, ADRA2C, ADRB2 MAPT 4569/4885MEN1 4005/4885ALDH1A1 93/4885

“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.