SCHEMBL2434192

SCHEMBL2434192

C[C@H]1C[C@](CO)(Nc2cccc(F)c2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
HTR2C P28335 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP2C9 P11712 2/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL1170577 0.92 PDK1 (0.41) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL1170399 0.92 PDK1 (0.41) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL7980800 0.87 PDK1 (0.43) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL1170330 0.85 JAK2 (0.42) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL12328090 0.85 PDK1 (0.41) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL1170610 0.85 JAK2 (0.42) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL12328094 0.85 PDK1 (0.41) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL10262476 0.85 JAK2 (0.42) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL755045 0.85 JAK2 (0.42) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL1169815 0.81 NPSR1 (0.36) PDK1PDK2PDK3PDK4NPSR1

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-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 US disclosed
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 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-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors BACE1, BACE2, APH1B PDK1 3030/4885PDK2 3827/4885PDK3 3723/4885

“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.