SCHEMBL3046145

SCHEMBL3046145

COC(=O)C(O)CC(=O)[C@H](C)N(C)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL3050396 0.86 KMT2A (0.49) KMT2AMEN1NPC1RAB9AADRA2B
SCHEMBL8895474 0.86 MEN1 (0.43) KMT2AMEN1ADRA2BADRA2CSLC6A2
SCHEMBL19203449 0.84 KMT2A (0.56) KMT2AMEN1NPC1RAB9AADRA2B
SCHEMBL27783385 0.84 KMT2A (0.56) KMT2AMEN1NPC1RAB9AADRA2B
SCHEMBL27529666 0.78 MEN1 (0.47) KMT2AMEN1NPC1RAB9AADRA2B
SCHEMBL13243744 0.78 MEN1 (0.51) KMT2AMEN1NPC1RAB9AADRA2B
SCHEMBL19520999 0.77 KMT2A (0.46) KMT2AMEN1NPC1RAB9AADRA2B
SCHEMBL19521035 0.77 KMT2A (0.46) KMT2AMEN1NPC1RAB9AADRA2B
SCHEMBL19520997 0.77 KMT2A (0.46) KMT2AMEN1NPC1RAB9AADRA2B
SCHEMBL14202766 0.76 NPC1 (0.51) KMT2AMEN1NPC1RAB9AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
US-7772190-B2 Didepsipeptide-based endoparasiticides, new didepsipeptides and process for preparing the same BAYER ANIMAL HEALTH GMBH (DE) 2010-08-10 US disclosed
EP-2066688-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES Novartis AG (CH) 2009-06-10 EP disclosed
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 WO disclosed
US-20040034048-A1 Didepsipeptide-based endoparasiticides, new didepsipeptides and process for preparing the same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-02-19 US disclosed
US-20020142969-A1 DIDEPSIPEPTIDE-BASED ENDOPARASITICIDES, NEW DIDEPSIPEPTIDES AND PROCESS FOR PREPARING THE SAME BAYER AKTIENGESELLSCHAFT (DE) 2002-10-03 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-20040034048-A1 Didepsipeptide-based endoparasiticides, new didepsipeptides and process for preparing the same VIP, NGLY1, NPEPPS KMT2A 4667/4885MEN1 1220/4885NPC1 2185/4885
US-20020142969-A1 DIDEPSIPEPTIDE-BASED ENDOPARASITICIDES, NEW DIDEPSIPEPTIDES AND PROCESS FOR PREPARING THE SAME VIP, NGLY1, NPEPPS KMT2A 4668/4885MEN1 1152/4885NPC1 2260/4885
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 KMT2A 3407/4885MEN1 2302/4885NPC1 177/4885

“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.