SCHEMBL8959838

SCHEMBL8959838

COc1ccccc1C1=CCCNC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.62
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
HTR7 P34969 3/20 0.45
HTR6 P50406 1/20 0.44
PTGS2 P35354 1/20 0.44
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL14704902 0.85 HTR7 (0.49) HTR2ACCNT1CDK9HTR7HTR6
Hydrochloric Acid SCHEMBL2855499 0.80 HTR2A (0.58) HTR2ACCNT1CDK9HTR7HTR2C
SCHEMBL8959970 0.77 HTR2A (0.59) HTR2AHTR7HTR6HTR2CHTR2B
SCHEMBL25293547 0.77 HTR2A (1.00) HTR2AHTR7HTR6HTR2CHTR2B
SCHEMBL25293469 0.77 HTR2A (0.65) HTR2ACCNT1CDK9HTR6HTR2C
SCHEMBL31357966 0.74 HTR2A (0.49) HTR2ACCNT1CDK9HTR6HTR2C
SCHEMBL27201538 0.74 HTR2A (0.49) HTR2AHTR6HTR2CHTR2B
SCHEMBL614978 0.73 CCNT1 (0.57) CCNT1CDK9HTR7HTR6HTR2C
SCHEMBL31348179 0.73 CCNT1 (0.57) CCNT1CDK9HTR7HTR6HTR2C
SCHEMBL8586239 0.72 PTGS2 (0.48) HTR7PTGS2APP

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 18 patents. 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-9012634-B2 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN R&D IRELAND (IE) 2015-04-21 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
US-20140163038-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2014-06-12 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
EP-0691956-A1 3-PHENYL-1,2,5,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEDATIVES LABORATOIRE L. LAFON (FR) 1996-01-17 EP disclosed
WO-1994022827-A1 3-PHENYL-1,2,5,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEDATIVES LABORATOIRE L. LAFON (FR) 1994-10-13 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 (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 HTR2A 4780/4885CCNT1 463/4885CDK9 1479/4885
US-20150225424-A1 Antibacterial compounds FAR1, GAA, ECI1 HTR2A 4875/4885CCNT1 951/4885CDK9 1378/4885
US-20150158866-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones NQO2, ALPI, ECI1 HTR2A 4757/4885CCNT1 908/4885CDK9 952/4885

“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.