SCHEMBL5173012

SCHEMBL5173012

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
PKM P14618 1/20 0.64
CYP2C19 P33261 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NPC1 O15118 2/20 0.57
POLB P06746 1/20 0.57
FKBP1A P62942 1/20 0.56
F2 P00734 1/20 0.56
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KLK7 P49862 1/20 0.54

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
SCHEMBL6508896 1.00 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL4366597 1.00 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL1752679 0.93 ALDH1A1 (0.60) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL7989544 0.92 ALDH1A1 (0.66) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL22163627 0.91 HDAC1 (0.62) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL12972657 0.90 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL22163586 0.90 ALDH1A1 (0.63) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL22399147 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL608156 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL205331 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4CYP2C9PKMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745019-A1 NOVEL COMPOUNDS OF PROLINE AND MORPHOLINE DERIVATIVES PFIZER INC. (US) 2007-01-24 EP disclosed
US-20050261290-A1 Novel compounds of proline and morpholine derivatives CHENG HENGMIAO 2005-11-24 US disclosed
WO-2005108359-A1 NOVEL COMPOUNDS OF PROLINE AND MORPHOLINE DERIVATIVES PFIZER INC. (US) 2005-11-17 WO 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-20050261290-A1 Novel compounds of proline and morpholine derivatives CYP11B1, HSD11B1, CYP11B2 ALDH1A1 114/4885CYP3A4 283/4885CYP2C9 550/4885

“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.