SCHEMBL5383038

SCHEMBL5383038

COc1cc([N+](=O)[O-])ccc1OCC(=O)N1C(C)(C)CCCC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TTR P02766 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL5391758 0.85 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL1928480 0.82 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4028062 0.80 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL5384033 0.79 LMNA (0.49) ALDH1A1KMT2ASMN1; SMN2HTTMAPT
SCHEMBL5402231 0.78 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL1531280 0.78 PTGDR2 (0.63) ALDH1A1KMT2AMEN1TTRSMN1; SMN2
SCHEMBL1531330 0.78 KMT2A (0.54) ALDH1A1KMT2AMEN1TTRSMN1; SMN2
SCHEMBL18425852 0.77 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4829743 0.77 HTT (0.48) ALDH1A1KMT2AMEN1TTRSMN1; SMN2
SCHEMBL5378784 0.77 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E

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-7220777-B2 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2007-05-22 — — US disclosed
EP-1436267-B1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2006-12-27 — — EP disclosed
US-20060287321-A1 Novel Lactam Derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-21 — — US disclosed
US-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-03-17 — — US disclosed
EP-1436267-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2004-07-14 — — EP disclosed
WO-2003033480-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-04-24 — — 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-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors ADRB3, GPR3, ADRB1 ALDH1A1 2468/4885KMT2A 3139/4885MEN1 1201/4885
US-20060287321-A1 Novel Lactam Derivatives MRPL21, PEPD, STS ALDH1A1 2328/4885KMT2A 3839/4885MEN1 925/4885

“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.

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