SCHEMBL3068129

SCHEMBL3068129

CC(C)[Si](OCCN1C(=O)COc2ccc(COC3CCCCO3)cc21)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
BRD4 O60885 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 3/20 0.38
HTR1A P08908 5/20 0.37
HTR1D P28221 5/20 0.37
HTR1B P28222 5/20 0.37
OPRK1 P41145 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
SLC5A1 P13866 3/20 0.36
SLC5A2 P31639 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.35
SLC6A4 P31645 1/20 0.34
P2RX3 P56373 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
WEE1 P30291 1/20 0.34

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
SCHEMBL3080202 0.75 POLB (0.43) TSHRHTR1AHTR1DHTR1BCYP2C9
SCHEMBL3074822 0.75 POLB (0.45) CYP3A4TSHRHTR1AHTR1DHTR1B
SCHEMBL3079896 0.67 PARP1 (0.53)
SCHEMBL31123332 0.66 P2RX3 (0.38) CYP3A4MEN1KMT2AP2RX3POLB
SCHEMBL29209073 0.66 P2RX3 (0.38) CYP3A4MEN1KMT2AP2RX3POLB
SCHEMBL4081854 0.64 ICAM1 (0.40) MEN1KMT2AL3MBTL1RAB9AP2RX3
SCHEMBL3999018 0.64 ICAM1 (0.42) MEN1KMT2AL3MBTL1RAB9AICAM1
SCHEMBL22165283 0.64 ICAM1 (0.39) MEN1KMT2AL3MBTL1RAB9AICAM1
SCHEMBL4680154 0.64 ICAM1 (0.39) MEN1KMT2AL3MBTL1RAB9AICAM1
SCHEMBL3592107 0.63 REN (0.46) BRD4MEN1KMT2ATSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 CYP3A4 29/4885BRD4 292/4885MEN1 2817/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 CYP3A4 29/4885BRD4 292/4885MEN1 2817/4885

“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.