SCHEMBL1769465

SCHEMBL1769465

O=C(O)C1CCCN1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
AGTR2 P50052 2/20 0.46
ACE P12821 4/20 0.45
PREP P48147 3/20 0.44
SPHK1 Q9NYA1 1/20 0.44
FKBP1A P62942 2/20 0.44
LTA4H P09960 2/20 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
SCHEMBL6379511 1.00 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1NPC1RAB9AAGTR2
SCHEMBL1287227 1.00 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1NPC1RAB9AAGTR2
SCHEMBL2916597 0.95 FKBP1A (0.49) SMN1; SMN2ALDH1A1NPC1RAB9AAGTR2
SCHEMBL1697453 0.88 SPHK1 (0.46) SMN1; SMN2ALDH1A1NPC1RAB9AAGTR2
SCHEMBL7390923 0.88 SPHK1 (0.54) SMN1; SMN2NPC1RAB9APREPSPHK1
SCHEMBL10961572 0.87 HTR2A (0.44) PREPSPHK1FKBP1A
SCHEMBL3578383 0.86 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1NPC1RAB9AACE
SCHEMBL5158304 0.86 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1NPC1RAB9AACE
SCHEMBL7427948 0.85 CCR4 (0.46) SMN1; SMN2ALDH1A1PREPFKBP1A
SCHEMBL7427947 0.85 CCR4 (0.46) SMN1; SMN2ALDH1A1PREPFKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011060832-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2011-05-26 WO disclosed
US-7148242-B2 N-formyl hydroxylamine compounds, compositions and methods of use NOVARTIS AG (CH) 2006-12-12 US disclosed
EP-1401828-B1 N-FORMYL HYDROXYLAMINE COMPOUNDS AS INHIBITORS OF PDF VICURON PHARM INC (US) 2006-04-12 EP disclosed
EP-1003775-B1 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM CA LTD (CA) 2005-03-16 EP disclosed
EP-1012180-B1 HEPATITIS C INHIBITOR PEPTIDE ANALOGUES BOEHRINGER INGELHEIM CA LTD (CA) 2004-12-01 EP disclosed
EP-1401828-A1 N-FORMYL HYDROXYLAMINE COMPOUNDS AS INHIBITORS OF PDF Vicuron Pharmaceuticals, Inc. (US) 2004-03-31 EP disclosed
US-20030045479-A1 Novel N-formyl hydroxylamine compounds, compositions and methods of use VICURON HOLDINGS LLC 2003-03-06 US disclosed
WO-2002102790-A1 N-FORMYL HYDROXYLAMINE COMPOUNDS AS INHIBITORS OF PDF VICURON PHARMACEUTICALS INC. (US) 2002-12-27 WO disclosed
WO-2002028829-A2 PEPTIDE DEFORMYLASE INHIBITORS QUESTCOR PHARMACEUTICALS, INC. (US) 2002-04-11 WO disclosed
EP-1012180-A2 HEPATITIS C INHIBITOR PEPTIDE ANALOGUES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-06-28 EP disclosed
EP-1003775-A2 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-05-31 EP disclosed
WO-1999007733-A2 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1999-02-18 WO disclosed
WO-1999007734-A2 HEPATITIS C INHIBITOR PEPTIDE ANALOGUES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1999-02-18 WO disclosed
EP-0273399-B1 Optically active 2,3-dihydrobenzoaxine derivatives and process for preparing the same DAIICHI SEIYAKU CO (JP) 1994-08-17 EP disclosed
EP-0439444-A2 Synthesis of chiral pyrrolidine and piperidine glycosidase inhibitors MONSANTO COMPANY (US) 1991-07-31 EP disclosed
US-5013842-A Synthesis of chiral pyrrolidine and piperidine glycosidase inhibitors MONSANTO COMPANY (US) 1991-05-07 US disclosed
US-4895944-A BACTERICIDE OFLOXACIN DAIICHI SEIYAKU COMPANY, LTD. (JP) 1990-01-23 US disclosed
EP-0273399-A1 Optically active 2,3-dihydrobenzoaxine derivatives and process for preparing the same DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1988-07-06 EP disclosed
US-4494547-A 2H-isoindolediones, their synthesis and use as radiosensitizers NORTH CAROLINA CENTRAL UNIVERSITY (US) 1985-01-22 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 (1 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-20030045479-A1 Novel N-formyl hydroxylamine compounds, compositions and methods of use PDF, HNMT, AADAC SMN1; SMN2 2375/4885ALDH1A1 2056/4885NPC1 1489/4885

“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.