SCHEMBL5548759

SCHEMBL5548759

CC[N+](CC)(CC)CCOC(CI)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.50
CHRM1 P11229 3/20 0.50
CHRM3 P20309 2/20 0.50
CHRNA7 P36544 12/20 0.49
CHRNB4 P30926 8/20 0.49
CHRNA3 P32297 8/20 0.49
CHRNB2 P17787 7/20 0.49
CHRNA4 P43681 7/20 0.49
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
SCN3A Q9NY46 2/20 0.44
ALOX15 P16050 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL14365075 0.84 CHRM2 (0.50) CHRM2CHRM1CHRM3CHRNA7CHRNB4
SCHEMBL5549551 0.79 CHRM1 (0.49) CHRM2CHRM1CHRM3CHRNA7CHRNB4
SCHEMBL14365056 0.77 CHRM2 (0.44) CHRM2CHRM1CHRM3CHRNA7CHRNB4
SCHEMBL14365079 0.77 CHRM1 (0.47) CHRM2CHRM1CHRM3CHRNA7CHRNB4
SCHEMBL14365080 0.75 CHRM2 (0.42) CHRM2CHRM1CHRM3CHRNA7CHRNB4
SCHEMBL14365151 0.72 CHRM1 (0.48) CHRM2CHRM1CHRM3CHRNA7CHRNB4
SCHEMBL5548763 0.72 SIGMAR1 (0.53) CHRM2CHRM1CHRM3ALDH1A1CYP1A2
SCHEMBL14365126 0.71 CHRM1 (0.47) CHRM2CHRM1CHRM3CHRNA7CHRNB4
SCHEMBL5548768 0.69 MIF (0.46) CHRM2CHRM1CHRM3CHRNA7CHRNB4
SCHEMBL16702829 0.69 SLC6A4 (0.39) MEN1CYP1A2CYP2D6KMT2ALMNA

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
US-7301018-B2 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-11-27 US disclosed
US-20040142378-A1 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-07-22 US disclosed
US-20040031122-A1 Wiping device VALEO WISCHERSYSTEME GMBH (DE) 2004-02-19 US 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-20040142378-A1 Probe for mass spectrometry of liquid sample MRPS22, MRPS27, MRPS23 CHRM2 1198/4885CHRM1 1278/4885CHRM3 1483/4885

“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.