SCHEMBL3072701

SCHEMBL3072701

Cc1cccc2c1N(COCC[Si](C)(C)C)C(=O)C2(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.36
CRHR1 P34998 2/20 0.35
CRHR2 Q13324 2/20 0.35
NPC1 O15118 1/20 0.33
ELANE P08246 1/20 0.31
MAPT P10636 5/20 0.31
ALDH1A1 P00352 5/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD4 P21917 1/20 0.31
HRH2 P25021 1/20 0.31
HTR7 P34969 1/20 0.31
OPRK1 P41145 1/20 0.31
HTR2B P41595 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31

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
SCHEMBL3084940 0.84 ELANE (0.34) NPC1ELANE
SCHEMBL3061104 0.84 ELANE (0.32) NPC1ELANE
SCHEMBL2265675 0.76 TP53 (0.38) TP53NPC1MAPTALDH1A1KMT2A
SCHEMBL27947101 0.73 HDAC6 (0.34) NPC1MAPT
SCHEMBL15577396 0.72 DGAT1 (0.35) NPC1MAPTALDH1A1KMT2AMEN1
SCHEMBL2144593 0.72 NPC1 (0.32) NPC1TDP1
SCHEMBL3776341 0.72 NPC1 (0.32) NPC1
SCHEMBL7837092 0.72 TP53 (0.43) TP53CRHR1CRHR2ELANEMAPT
SCHEMBL31085612 0.72 MARK3 (0.39) MAPT
SCHEMBL30804497 0.70 OPRL1 (0.42) ALDH1A1OPRK1

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 TP53 3631/4885CRHR1 2459/4885CRHR2 2012/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 TP53 3631/4885CRHR1 2459/4885CRHR2 2012/4885

“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.