SCHEMBL6043424

SCHEMBL6043424

C1=C(c2ccc3c(c2)OCO3)CCNC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.57
HTR2C P28335 8/20 0.54
SIGMAR1 Q99720 2/20 0.54
NISCH Q9Y2I1 1/20 0.46
HTR6 P50406 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL7804971 0.90 QDPR (0.57) QDPRHTR2CSIGMAR1
SCHEMBL6584726 0.88 QDPR (0.46) QDPRHTR2CSIGMAR1HTR6KDM4E
SCHEMBL5090686 0.75 QDPR (0.48) QDPRHTR2CSIGMAR1
SCHEMBL9618220 0.75 ACMSD (0.45) NISCHKDM4ENPC1ALDH1A1MAPT
SCHEMBL7065679 0.74 CHRM3 (0.40) HTR2CSIGMAR1NISCH
SCHEMBL31367896 0.72 QDPR (1.00) QDPRHTR2CSIGMAR1
SCHEMBL3383939 0.72 HTR2C (0.62) QDPRHTR2CSIGMAR1HTR6
SCHEMBL14956908 0.72 QDPR (0.60) QDPRHTR2CSIGMAR1HTR6
SCHEMBL7744628 0.72 QDPR (1.00) QDPRHTR2CSIGMAR1
SCHEMBL3385014 0.72 SIGMAR1 (0.68) QDPRHTR2CSIGMAR1HTR6MAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742047-B1 ANTIBACTERIAL PIPERIDINYL SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-05-12 EP disclosed
EP-2882739-B1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-05-03 EP disclosed
US-9598407-B2 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2017-03-21 US disclosed
US-9598407-B2 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2017-03-21 US disclosed
US-9296760-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2016-03-29 US disclosed
US-9296760-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2016-03-29 US disclosed
US-20150225424-A1 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2015-08-13 US disclosed
US-20150225424-A1 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2015-08-13 US disclosed
US-20150158866-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2015-06-11 US disclosed
US-20150158866-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2015-06-11 US disclosed
US-20140163038-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2014-06-12 US disclosed
WO-2014023815-A1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN R&D IRELAND (IE) 2014-02-13 WO disclosed
WO-2013021052-A1 ANTIBACTERIAL PIPERIDINYL SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES JANSSEN R&D IRELAND (IE) 2013-02-14 WO disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 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 (4 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-20140163038-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones FAR1, DNASE1, LAMP1 QDPR 31/4885HTR2C 4722/4885SIGMAR1 971/4885
US-20150225424-A1 Antibacterial compounds FAR1, GAA, ECI1 QDPR 189/4885HTR2C 4872/4885SIGMAR1 2704/4885
US-20150158866-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones NQO2, ALPI, ECI1 QDPR 11/4885HTR2C 4634/4885SIGMAR1 1357/4885
US-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 QDPR 405/4885HTR2C 2451/4885SIGMAR1 3885/4885

“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.