SCHEMBL3320665

SCHEMBL3320665

CC(C)(C)[C@H](N)C(=O)N1CCC(Oc2ccc(CO)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SRD5A1 P18405 1/20 0.45
GPR119 Q8TDV5 2/20 0.43
NAMPT P43490 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
KMT2A Q03164 4/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.41
LIPE Q05469 1/20 0.41
ADRB2 P07550 2/20 0.41

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
SCHEMBL13361619 1.00 HRH2 (0.47) HRH2HRH1L3MBTL1SRD5A1GPR119
Hydrochloric Acid SCHEMBL2774192 0.84 DPP4 (0.49) HRH2HRH1L3MBTL1SRD5A1GPR119
SCHEMBL13361594 0.83 SRD5A1 (0.45) HRH2HRH1L3MBTL1SRD5A1GPR119
SCHEMBL3320218 0.82 SRD5A1 (0.49) HRH2HRH1L3MBTL1SRD5A1NAMPT
SCHEMBL13333387 0.82 SRD5A1 (0.49) HRH2HRH1L3MBTL1SRD5A1NAMPT
SCHEMBL3342716 0.79 GPR119 (0.66) GPR119HRH3
SCHEMBL3348834 0.78 EPHX2 (0.48) SRD5A1HRH3KMT2ALMNAMEN1
SCHEMBL3320669 0.78 L3MBTL1 (0.47) L3MBTL1GPR119KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL2778009 0.76 SRD5A1 (0.45) L3MBTL1SRD5A1GPR119HRH3KMT2A
SCHEMBL3320205 0.76 CCR1 (0.48) HRH1SRD5A1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125075-A1 Antibacterial Agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2010-05-20 US disclosed
US-20100125075-A1 Antibacterial Agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2010-05-20 US disclosed
US-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 US disclosed
US-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 US disclosed
US-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 US disclosed
US-20050065095-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-03-24 US disclosed
US-6846825-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-01-25 US disclosed
EP-1202968-A2 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-05-08 EP disclosed
WO-2001010834-A9 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARM (GB) 2001-08-09 WO disclosed
WO-2001010834-A2 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 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-20050065095-A1 Antibacterial agents NQO2, DAO, Q6ZSR9 HRH2 17/4885HRH1 47/4885L3MBTL1 2349/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 HRH2 15/4885HRH1 43/4885L3MBTL1 1972/4885

“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.