SCHEMBL5767775

SCHEMBL5767775

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

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.71
NPC1 O15118 2/20 0.71
RAB9A P51151 2/20 0.71
CYP2C19 P33261 1/20 0.67
HTT P42858 1/20 0.60
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ENPP2 Q13822 1/20 0.52
GRIN2B Q13224 4/20 0.51
PDE4B Q07343 1/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
F13A1 P00488 2/20 0.48
TGM2 P21980 2/20 0.48
TGM1 P22735 2/20 0.48
HTR2C P28335 1/20 0.48
USP30 Q70CQ3 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL29332889 0.92 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL2180966 0.92 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL1939902 0.92 SMN1; SMN2 (0.79) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL103560 0.89 SMN1; SMN2 (0.84) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL2330005 0.89 SMN1; SMN2 (0.84) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL12070966 0.89 SMN1; SMN2 (0.84) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL21098130 0.89 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL631512 0.87 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL14348062 0.87 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL16025051 0.87 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022152852-A1 ANTAGONISTS OF MRGX2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-07-21 WO disclosed
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 SMN1; SMN2 3447/4885NPC1 1057/4885RAB9A 838/4885
US-20050107423-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 SMN1; SMN2 3447/4885NPC1 1057/4885RAB9A 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.