SCHEMBL5766528

SCHEMBL5766528

CCOC(=O)C1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
RAB9A P51151 3/20 0.66
CYP2C19 P33261 2/20 0.63
ALDH1A1 P00352 4/20 0.60
MAPT P10636 1/20 0.57
HTT P42858 2/20 0.57
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 3/20 0.55
PKM P14618 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 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
SCHEMBL3271535 0.93 ALDH1A1 (0.70) NPC1SMN1; SMN2RAB9ACYP2C19ALDH1A1
SCHEMBL1468838 0.93 ALDH1A1 (0.70) NPC1SMN1; SMN2RAB9ACYP2C19ALDH1A1
SCHEMBL3271568 0.93 ALDH1A1 (0.70) NPC1SMN1; SMN2RAB9ACYP2C19ALDH1A1
SCHEMBL630697 0.92 SMN1; SMN2 (0.73) NPC1SMN1; SMN2RAB9ACYP2C19ALDH1A1
SCHEMBL28390258 0.90 ALDH1A1 (0.58) NPC1SMN1; SMN2RAB9ACYP2C19ALDH1A1
SCHEMBL16025051 0.89 SMN1; SMN2 (0.68) NPC1SMN1; SMN2RAB9ACYP2C19ALDH1A1
SCHEMBL631512 0.89 SMN1; SMN2 (0.68) NPC1SMN1; SMN2RAB9ACYP2C19ALDH1A1
SCHEMBL14348062 0.89 SMN1; SMN2 (0.68) NPC1SMN1; SMN2RAB9ACYP2C19ALDH1A1
SCHEMBL6178689 0.88 NPC1 (0.60) NPC1SMN1; SMN2RAB9ACYP2C19ALDH1A1
SCHEMBL1507267 0.88 NPC1 (0.67) NPC1SMN1; SMN2RAB9ACYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667994-A1 QUINOLONE ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2006-06-14 EP disclosed
US-20050119231-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-06-02 US disclosed
US-20050107423-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-19 US disclosed
WO-2005026154-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
WO-2005026165-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 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 (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-20050119231-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 NPC1 1057/4885SMN1; SMN2 3447/4885RAB9A 838/4885
US-20050107423-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 NPC1 1057/4885SMN1; SMN2 3447/4885RAB9A 838/4885

“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.