SCHEMBL3320218

SCHEMBL3320218

COC(=O)c1ccc(OC2CCN(C(=O)C(N)C(C)(C)C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.49
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
HRH3 Q9Y5N1 3/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.45
NAMPT P43490 1/20 0.44
EPHX2 P34913 2/20 0.43
FAAH O00519 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL13333387 1.00 SRD5A1 (0.49) SRD5A1HRH2HRH1L3MBTL1HRH3
Hydrochloric Acid SCHEMBL2774192 0.83 DPP4 (0.49) SRD5A1HRH2HRH1L3MBTL1HRH3
SCHEMBL13361594 0.82 SRD5A1 (0.45) SRD5A1HRH2HRH1L3MBTL1HRH3
SCHEMBL3320665 0.82 HRH2 (0.47) SRD5A1HRH2HRH1L3MBTL1HRH3
SCHEMBL13361619 0.82 HRH2 (0.47) SRD5A1HRH2HRH1L3MBTL1HRH3
SCHEMBL22694560 0.80 KMT2A (0.51) SRD5A1L3MBTL1HRH3KMT2ALMNA
SCHEMBL240683 0.80 GPR119 (0.61) KMT2AALDH1A1
SCHEMBL241369 0.78 L3MBTL1 (0.61) L3MBTL1KMT2AMAPTLMNAPOLB
SCHEMBL3458256 0.77 SCN1A (0.56) HRH3KMT2ALMNAEPHX2FAAH
SCHEMBL16147114 0.76 EPHX2 (0.61) KMT2AMAPTEPHX2FAAH

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-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-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 SRD5A1 2839/4885HRH2 17/4885HRH1 47/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 SRD5A1 3030/4885HRH2 15/4885HRH1 43/4885

“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.