SCHEMBL6204675

SCHEMBL6204675

C[C@@H]1CC(CO)C[C@@H](C)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ACHE P22303 1/20 0.42
ALDH1A1 P00352 2/20 0.40
GBA1 P04062 2/20 0.40
ABCB1 P08183 1/20 0.40
CYP2D6 P10635 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 2/20 0.39
FUCA1 P04066 2/20 0.39
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL20046647 1.00 MAPT (0.47) MAPTCHRM2CHRM4CHRM5ACHE
SCHEMBL20046302 1.00 MAPT (0.47) MAPTCHRM2CHRM4CHRM5ACHE
SCHEMBL20797832 0.85 CHRM2 (0.55) MAPTCHRM2CHRM4CHRM5ACHE
SCHEMBL20811168 0.85 CHRM2 (0.55) MAPTCHRM2CHRM4CHRM5ACHE
SCHEMBL3601179 0.80 MAPT (0.65) MAPTGBA1SIGMAR1
SCHEMBL17048017 0.80 MAPT (0.65) MAPTGBA1SIGMAR1
SCHEMBL3601182 0.80 MAPT (0.65) MAPTGBA1SIGMAR1
SCHEMBL2271581 0.80 MAPT (0.65) MAPTGBA1SIGMAR1
SCHEMBL3597729 0.80 MAPT (0.65) MAPTGBA1SIGMAR1
SCHEMBL3597725 0.80 MAPT (0.65) MAPTGBA1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050277676-A1 M3muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2005-12-15 US disclosed
EP-1549278-A4 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2005-12-14 EP disclosed
EP-1549278-A2 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-07-06 EP disclosed
WO-2004012684-A2 M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-02-12 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-20050277676-A1 M3muscarinic acetylcholine receptor antagonists CHRM3, CHRM2, CHRM5 MAPT 4269/4885CHRM2 2/4885CHRM4 6/4885

“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.