SCHEMBL4790082

SCHEMBL4790082

C1=C(c2ccco2)CCNC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.53
HTR2C P28335 10/20 0.52
QDPR P09417 2/20 0.46
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
DRD2 P14416 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.40
HTR2A P28223 1/20 0.40
HTT P42858 1/20 0.40
RAD52 P43351 1/20 0.40
HTR6 P50406 1/20 0.40
NISCH Q9Y2I1 1/20 0.40

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
Hydrochloric Acid SCHEMBL9934109 0.82 HTR2C (0.49) SIGMAR1HTR2CQDPRKDM4EALDH1A1
SCHEMBL3689337 0.81 ALDH1A1 (0.39) SIGMAR1HTR2CKDM4EALDH1A1MAPT
SCHEMBL15088479 0.75 SIGMAR1 (0.37) SIGMAR1HTR2CKDM4EALDH1A1MAPT
SCHEMBL7912471 0.75 P2RY6 (0.37) SIGMAR1HTR2CKDM4EALDH1A1MAPT
SCHEMBL28770584 0.71 ALDH1A1 (0.40) KDM4EALDH1A1MAPTALOX15HSD17B10
SCHEMBL415545 0.70 SIGMAR1 (1.00) SIGMAR1HTR2CQDPRKDM4EALDH1A1
SCHEMBL9825171 0.69 ALDH1A1 (0.39) KDM4EALDH1A1MAPTALOX15HSD17B10
Bromide SCHEMBL11385943 0.68 SIGMAR1 (0.96) SIGMAR1HTR2CQDPRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL446973 0.68 HTR2C (1.00) SIGMAR1HTR2CQDPRKDM4EALDH1A1
SCHEMBL4357694 0.68 SIGMAR1 (0.50) SIGMAR1HTR2CQDPRKDM4EALDH1A1

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 16 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-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 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 (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 SIGMAR1 971/4885HTR2C 4722/4885QDPR 31/4885
US-20150225424-A1 Antibacterial compounds FAR1, GAA, ECI1 SIGMAR1 2704/4885HTR2C 4872/4885QDPR 189/4885
US-20150158866-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones NQO2, ALPI, ECI1 SIGMAR1 1357/4885HTR2C 4634/4885QDPR 11/4885
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 SIGMAR1 243/4885HTR2C 222/4885QDPR 91/4885

“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.