SCHEMBL5543949

SCHEMBL5543949

CC(C)(C)[Si](C)(C)CC(OCCN)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
KCNK2 O95069 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35
HRH1 P35367 1/20 0.34
KIF11 P52732 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
TAAR1 Q96RJ0 3/20 0.33
SLC7A5 Q01650 1/20 0.33

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
SCHEMBL5545676 0.85 SLC6A2 (0.36) HTTSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5550392 0.85 HTT (0.36) HTTSMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL5549258 0.83 HTT (0.38) HTTSLC6A2SLC6A4
SCHEMBL11953999 0.70 CHRNB2 (0.42) SMN1; SMN2SLC6A2SLC6A4SLC6A3HRH1
SCHEMBL3386535 0.68 TAAR1 (0.41) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL3386613 0.68 TAAR1 (0.41) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL3386536 0.68 TAAR1 (0.41) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL7288351 0.67 SCN1A (0.57) HTTSMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL16767872 0.67 HRH1 (0.48) SLC6A4SLC6A3HRH1KIF11CHRNB2
Bromomethane SCHEMBL5569429 0.66 SLC6A2 (0.56) HTTSMN1; SMN2SLC6A2SLC6A4SLC6A3

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 HTT 3937/4885SMN1; SMN2 4157/4885SLC6A2 3057/4885

“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.