SCHEMBL5378784

SCHEMBL5378784

COc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCCC1C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.49
▸ POLB P06746 3/20 0.49
▸ KMT2A Q03164 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ THRB P10828 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PKM P14618 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL5388871 0.97 ALDH1A1 (0.53) ALDH1A1POLBKMT2ANPSR1L3MBTL1
SCHEMBL5402231 0.84 ALDH1A1 (0.54) ALDH1A1POLBKMT2ANPSR1L3MBTL1
SCHEMBL5391758 0.82 ALDH1A1 (0.60) ALDH1A1POLBKMT2AL3MBTL1MAPT
SCHEMBL1928480 0.82 ALDH1A1 (0.63) ALDH1A1POLBKMT2AL3MBTL1KDM4E
SCHEMBL5381743 0.78 HRH3 (0.56) ALDH1A1NPSR1L3MBTL1LMNAMAPT
SCHEMBL4025535 0.78 HPGD (0.52) ALDH1A1KMT2AL3MBTL1LMNAMAPT
SCHEMBL1578893 0.77 KMT2A (0.50) ALDH1A1KMT2ANPSR1L3MBTL1LMNA
SCHEMBL5383038 0.77 ALDH1A1 (0.45) ALDH1A1POLBKMT2AL3MBTL1MAPT
SCHEMBL18425852 0.77 ALDH1A1 (0.67) ALDH1A1POLBKMT2ALMNAMAPT
SCHEMBL5389879 0.76 SMN1; SMN2 (0.47) ALDH1A1POLBNPSR1L3MBTL1LMNA

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 4 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

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 2468/4885POLB 3020/4885KMT2A 3139/4885
US-20060287321-A1 Novel Lactam Derivatives MRPL21, PEPD, STS ALDH1A1 2328/4885POLB 3169/4885KMT2A 3839/4885

“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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