SCHEMBL3317751

SCHEMBL3317751

CC(C)(CC(=O)N1CCN(Cc2ccc(C(=O)N3CCOCC3)cc2)CC1)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.61
HPGD P15428 1/20 0.57
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
AKR1C3 P42330 1/20 0.49
GAA P10253 1/20 0.48
LSS P48449 1/20 0.47

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
SCHEMBL3317749 0.82 HRH3 (0.60) HRH3HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL6135913 0.80 LMNA (0.56) HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL1014002 0.79 HPGD (0.86) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL3318521 0.78 FAAH (0.54) HRH3HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4954284 0.78 L3MBTL1 (0.47) SMN1; SMN2USP2TSHRGAA
SCHEMBL10184001 0.78 HRH3 (0.78) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL3320543 0.77 FAAH (0.52) MEN1KMT2ASMN1; SMN2USP2TSHR
SCHEMBL13636330 0.76 HRH3 (1.00) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL3320389 0.76 MEN1 (0.61) HPGDMEN1KMT2ASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL1177194 0.75 HRH3 (0.97) HRH3HPGDSMN1; SMN2USP2TSHR

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-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-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 HRH3 139/4885HPGD 1305/4885MEN1 2824/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 HRH3 104/4885HPGD 1389/4885MEN1 2736/4885

“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.