SCHEMBL4503172

SCHEMBL4503172

CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)NCC(c2ccccc2)c2ccccc2)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.41
TLR1 Q15399 2/20 0.41
BACE1 P56817 1/20 0.40
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MDM2 Q00987 1/20 0.38
CXCR3 P49682 3/20 0.36
CCR5 P51681 1/20 0.36
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
REN P00797 1/20 0.35
USP30 Q70CQ3 1/20 0.35
POLB P06746 1/20 0.35
MDM4 O15151 1/20 0.34
TP53 P04637 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
SCHEMBL4503171 1.00 TLR2 (0.41) TLR2TLR1BACE1KMT2AL3MBTL1
SCHEMBL1913190 0.87 KMT2A (0.43) TLR2TLR1BACE1KMT2AL3MBTL1
SCHEMBL1913332 0.87 KMT2A (0.43) TLR2TLR1BACE1KMT2AL3MBTL1
SCHEMBL1913192 0.87 KMT2A (0.43) TLR2TLR1BACE1KMT2AL3MBTL1
SCHEMBL1913212 0.87 KMT2A (0.43) TLR2TLR1BACE1KMT2AL3MBTL1
SCHEMBL14428332 0.86 KMT2A (0.44) TLR2TLR1BACE1KMT2AL3MBTL1
SCHEMBL8249851 0.84 KMT2A (0.40) TLR2TLR1BACE1KMT2AL3MBTL1
SCHEMBL19180879 0.84 KMT2A (0.40) TLR2TLR1BACE1KMT2AL3MBTL1
SCHEMBL4517265 0.83 KMT2A (0.39) TLR2TLR1KMT2ARENPOLB
SCHEMBL4517260 0.83 KMT2A (0.39) TLR2TLR1KMT2ARENPOLB

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-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US disclosed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 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 (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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 TLR2 2086/4885TLR1 1343/4885BACE1 1840/4885

“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.