SCHEMBL685403

SCHEMBL685403

Cc1ccc(OC(CCNCOCC[Si](C)(C)C)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.48
SLC6A9 P48067 3/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 4/20 0.44
CYP2D6 P10635 3/20 0.44
CYP3A4 P08684 3/20 0.44
NPC1 O15118 2/20 0.44
CYP2C19 P33261 2/20 0.44
MTOR P42345 2/20 0.44
RAB9A P51151 2/20 0.44
SLC6A2 P23975 2/20 0.44
HTR2C P28335 2/20 0.44
SLC6A3 Q01959 2/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.44
ALOX15 P16050 2/20 0.44
THPO P40225 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2C9 P11712 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
SCHEMBL13242453 0.87 SLC6A4 (0.63) SLC6A4SLC6A9MEN1KMT2ALMNA
SCHEMBL685185 0.76 SLC6A9 (0.46) SLC6A4SLC6A9SLC6A2HRH3HTR1A
SCHEMBL5015289 0.76 SLC6A4 (0.82) SLC6A4MEN1KMT2ALMNACYP2D6
SCHEMBL13107035 0.76 SLC6A4 (0.82) SLC6A4MEN1KMT2ALMNACYP2D6
Hydrochloric Acid SCHEMBL4942454 0.74 SLC6A4 (0.79) SLC6A4MEN1KMT2ALMNACYP2D6
Hydrochloric Acid SCHEMBL17685574 0.74 SLC6A4 (0.79) SLC6A4MEN1KMT2ALMNACYP2D6
Oxalic Acid SCHEMBL16347641 0.73 SLC6A4 (0.71) SLC6A4MEN1KMT2ALMNACYP2D6
SCHEMBL12546610 0.72 SLC6A4 (0.66) SLC6A4MEN1KMT2ALMNACYP2D6
SCHEMBL14393011 0.71 SLC6A4 (0.63) SLC6A4SLC6A9MEN1KMT2ALMNA
SCHEMBL13042191 0.71 SLC6A9 (0.54) SLC6A4SLC6A9MEN1KMT2ALMNA

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-20170007598-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS WILMINGTON SAVINGS FUND SOCIETY, FSB 2017-01-12 US disclosed
US-20150141452-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS U.S. BANK NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2015-05-21 US disclosed
US-20120010232-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS OREXIGEN THERAPEUTICS, INC. (US) 2012-01-12 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 (3 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-20150141452-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS MC4R, MC3R, MC5R SLC6A4 978/4885SLC6A9 4130/4885MEN1 1633/4885
US-20170007598-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS MC4R, MC3R, MC5R SLC6A4 978/4885SLC6A9 4130/4885MEN1 1633/4885
US-20120010232-A1 COMPOSITIONS FOR AFFECTING WEIGHT LOSS MC4R, MC3R, MC5R SLC6A4 978/4885SLC6A9 4130/4885MEN1 1633/4885

“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.