SCHEMBL2109274

SCHEMBL2109274

c1ccc(CC2CCCCN2)nc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LTA4H P09960 7/20 0.46
HRH3 Q9Y5N1 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTR6 P50406 2/20 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
SCHEMBL25281271 0.98 POLB (0.57) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30931485 0.95 POLB (0.51) POLBLTA4HCHRNB2CHRNA4HTR6
SCHEMBL1484949 0.95 POLB (0.51) POLBLTA4HCHRNB2CHRNA4HTR6
SCHEMBL13620123 0.95 POLB (0.51) POLBLTA4HCHRNB2CHRNA4HTR6
SCHEMBL1484948 0.95 POLB (0.51) POLBLTA4HCHRNB2CHRNA4HTR6
SCHEMBL27946219 0.81 HPGD (0.47) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13801178 0.79 POLB (0.49) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4148589 0.79 PSEN1 (0.43) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL818603 0.77 LTA4H (0.43) CYP2D6LTA4HHRH3
SCHEMBL3169928 0.75 POLB (0.51) POLBCYP1A2CYP3A4CYP2D6CYP2C9

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 35 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
US-9598407-B2 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2017-03-21 US disclosed
CN-105503869-A Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN R & D IRELAND 2016-04-20 CN disclosed
CN-103917540-B Antibacterial piperidinyl-substituted 3, 4-dihydro-1H- [1, 8] naphthyridinones JANSSEN R&D IRELAND (IE) 2016-03-16 CN 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-9012634-B2 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN R&D IRELAND (IE) 2015-04-21 US disclosed
CN-103917540-A Antibacterial piperidinyl-substituted 3, 4-dihydro-1H- [1,8] naphthyridinones JANSSEN R & D IRELAND 2014-07-09 CN disclosed
EP-2742047-A1 ANTIBACTERIAL PIPERIDINYL SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES Janssen R&D Ireland (IE) 2014-06-18 EP disclosed
US-20140163038-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2014-06-12 US disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
WO-2010099938-A1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS Grünenthal GmbH (DE) 2010-09-10 WO disclosed
WO-2010067233-A1 1,2,4 TRIAZOLO [4, 3 -A] [1,5] BENZODIAZEPIN-5 (6H) -ONES AS AGONISTS OF THE CHOLECYSTOKININ-1 RECEPTOR (CCK-IR) PFIZER INC. (US) 2010-06-17 WO disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 WO disclosed
EP-1385845-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2004-02-04 EP disclosed
WO-2002090355-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-14 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 (3 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 POLB 345/4885CYP1A2 363/4885CYP3A4 540/4885
US-20150158866-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones NQO2, ALPI, ECI1 POLB 102/4885CYP1A2 210/4885CYP3A4 295/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 POLB 4435/4885CYP1A2 2489/4885CYP3A4 2927/4885

“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.