SCHEMBL14704643

SCHEMBL14704643

C1=C(c2ccco2)CC2CNCC12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.38
CHRNA4 P43681 4/20 0.38
CHRNA7 P36544 3/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
CDK9 P50750 3/20 0.33
CCNT1 O60563 2/20 0.33
ALDH1A1 P00352 4/20 0.33
POLB P06746 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL14704708 0.73 OPRK1 (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL15596271 0.73 P2RY14 (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL15596503 0.73 P2RY14 (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL16941423 0.73 P2RY14 (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL14704704 0.73 P2RY14 (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL22728601 0.72 CHRM2 (0.40) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL14704641 0.71 CHRNA4 (0.39) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL22721128 0.71 CHRM2 (0.39) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL2990383 0.69 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL5939711 0.68 CHRM2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194194-A1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES Janssen Sciences Ireland Unlimited Company (IE) 2019-06-27 US disclosed
US-20190084982-A1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES Janssen Sciences Ireland Unlimited Company (IE) 2019-03-21 US disclosed
EP-2742045-B1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-01-23 EP disclosed
US-20180105525-A1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES Janssen Sciences Ireland Unlimited Company (IE) 2018-04-19 US disclosed
US-20180105525-A1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES Janssen Sciences Ireland Unlimited Company (IE) 2018-04-19 US disclosed
US-9884864-B2 Antibacterial cyclopenta[C]pyrrole substituted 3,4-Dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2018-02-06 US disclosed
US-9884864-B2 Antibacterial cyclopenta[C]pyrrole substituted 3,4-Dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2018-02-06 US disclosed
US-20170174683-A1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES Janssen Sciences Ireland Unlimited Company (IE) 2017-06-22 US disclosed
US-20170174683-A1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES Janssen Sciences Ireland Unlimited Company (IE) 2017-06-22 US disclosed
US-9617262-B2 Antibacterial cyclopental[C]pyrrole substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2017-04-11 US disclosed
US-20160194324-A1 ANTIBACTERIAL CYCLOPENTAL[C]PYRROLE SUBSTITUTED 3,4 DIHYDRO-1H-[1,8]NAPHTHYRIDINONES Janssen Sciences Ireland Unlimited Company (IE) 2016-07-07 US disclosed
US-9290493-B2 Antibacterial cyclopenta[c]pyrrole substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2016-03-22 US disclosed
US-9290493-B2 Antibacterial cyclopenta[c]pyrrole substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2016-03-22 US disclosed
US-20150080413-A1 Antibacterial cyclopenta[c]pyrrole substituted 3,4-dihydro-1H-[1,8]naphthyridinones Janssen Sciences Ireland Unlimited Company (IE) 2015-03-19 US disclosed
US-20150080413-A1 Antibacterial cyclopenta[c]pyrrole substituted 3,4-dihydro-1H-[1,8]naphthyridinones Janssen Sciences Ireland Unlimited Company (IE) 2015-03-19 US disclosed
US-8906923-B2 Antibacterial cyclopenta[c]pyrrole substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN R&D IRELAND (IE) 2014-12-09 US disclosed
US-8906923-B2 Antibacterial cyclopenta[c]pyrrole substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN R&D IRELAND (IE) 2014-12-09 US disclosed
US-20140171451-A1 Antibacterial cyclopenta[c]pyrrole substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN R&D IRELAND (IE) 2014-06-19 US disclosed
US-20140171451-A1 Antibacterial cyclopenta[c]pyrrole substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN R&D IRELAND (IE) 2014-06-19 US disclosed
WO-2013021054-A1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES JANSSEN R&D IRELAND (IE) 2013-02-14 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 (7 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-20190084982-A1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES ECI1, ALPI, PREP CHRNB2 4880/4885CHRNA4 4812/4885CHRNA7 4710/4885
US-20150080413-A1 Antibacterial cyclopenta[c]pyrrole substituted 3,4-dihydro-1H-[1,8]naphthyridinones ECI1, ALPI, PREP CHRNB2 4880/4885CHRNA4 4812/4885CHRNA7 4710/4885
US-20140171451-A1 Antibacterial cyclopenta[c]pyrrole substituted 3,4-dihydro-1H-[1,8]naphthyridinones ECI1, ALPI, PREP CHRNB2 4880/4885CHRNA4 4812/4885CHRNA7 4710/4885
US-20160194324-A1 ANTIBACTERIAL CYCLOPENTAL[C]PYRROLE SUBSTITUTED 3,4 DIHYDRO-1H-[1,8]NAPHTHYRIDINONES ECI1, ALPI, CYP51A1 CHRNB2 4839/4885CHRNA4 4647/4885CHRNA7 4475/4885
US-20170174683-A1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES ECI1, ALPI, PREP CHRNB2 4880/4885CHRNA4 4812/4885CHRNA7 4710/4885
US-20190194194-A1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES ECI1, ALPI, PREP CHRNB2 4880/4885CHRNA4 4812/4885CHRNA7 4710/4885
US-20180105525-A1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES ECI1, ALPI, PREP CHRNB2 4880/4885CHRNA4 4812/4885CHRNA7 4710/4885

“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.