SCHEMBL1747717

SCHEMBL1747717

CCOC(=O)N1CCC(N2CCC3(CC2)c2ccccc2C(=O)N3Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 7/20 0.51
KMT2A Q03164 5/20 0.48
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
MEN1 O00255 4/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALOX15 P16050 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL12934760 0.91 L3MBTL1 (0.57) L3MBTL1ALDH1A1KMT2ACHRM2CHRM4
SCHEMBL12934740 0.86 L3MBTL3 (0.51) L3MBTL1ALDH1A1KMT2ACHRM2CHRM3
SCHEMBL3773983 0.83 ACHE (0.46) ALDH1A1CHRM4CHRM5
SCHEMBL3773984 0.83 ACHE (0.46) ALDH1A1CHRM4CHRM5
SCHEMBL12935298 0.82 ALDH1A1 (0.49) ALDH1A1TSHR
SCHEMBL12935357 0.81 L3MBTL1 (0.50) L3MBTL1ALDH1A1KMT2AMEN1TSHR
SCHEMBL10005129 0.80 ALDH1A1 (0.43) ALDH1A1
SCHEMBL4226716 0.78 OPRD1 (0.50) ALDH1A1TSHRALOX15
SCHEMBL3768031 0.77 ALDH1A1 (0.47) ALDH1A1LMNA
SCHEMBL1747836 0.77 L3MBTL1 (0.57) L3MBTL1ALDH1A1KMT2ACHRM2CHRM4

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
EP-1817036-B1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2012-07-04 EP disclosed
US-7863449-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-04 US disclosed
US-7863449-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-04 US disclosed
EP-1817036-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP disclosed
US-20060270653-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-11-30 US disclosed
WO-2006058303-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 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-20060270653-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 L3MBTL1 3986/4885ALDH1A1 2356/4885KMT2A 2362/4885

“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.