SCHEMBL3082174

SCHEMBL3082174

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.42
SLC5A1 P13866 3/20 0.42
SLC5A2 P31639 3/20 0.42
TSHR P16473 2/20 0.41
BRD4 O60885 1/20 0.41
POLB P06746 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
HTR1A P08908 4/20 0.40
HTR1D P28221 4/20 0.40
HTR1B P28222 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C9 P11712 4/20 0.40
CYP1A2 P05177 3/20 0.40
HTT P42858 2/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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 0.93 POLB (0.43) KMOSLC5A1SLC5A2TSHRPOLB
SCHEMBL3072039 0.89 POLB (0.42) KMOSLC5A1SLC5A2TSHRBRD4
SCHEMBL3074822 0.82 POLB (0.45) KMOTSHRPOLBHSD17B10TP53
SCHEMBL1015445 0.80 TSHR (0.56) KMOTSHRPOLBTP53L3MBTL1
SCHEMBL3068129 0.79 CYP3A4 (0.39) SLC5A1SLC5A2TSHRBRD4POLB
SCHEMBL9197069 0.77 PDE3B (0.48) KMOTSHRBRD4POLBTP53
SCHEMBL4176340 0.70 HTR1A (0.50) KMOSLC5A1SLC5A2TSHRPOLB
SCHEMBL927855 0.69 REN (0.55) KMOTSHRPOLBTP53HTR1A
SCHEMBL3592107 0.69 REN (0.46) KMOTSHRBRD4POLBTP53
SCHEMBL2339596 0.68 TSHR (0.56) KMOTSHRPOLBTP53CYP2C9

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 KMO 2346/4885SLC5A1 409/4885SLC5A2 237/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 KMO 2346/4885SLC5A1 409/4885SLC5A2 237/4885

“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.