SCHEMBL14902467

SCHEMBL14902467

CC(C)(C)OC(=O)NCC(=O)N1CCC(C#N)(CCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.62
NPFFR1 Q9GZQ6 1/20 0.46
NPFFR2 Q9Y5X5 1/20 0.46
CTSS P25774 5/20 0.44
CTSK P43235 2/20 0.44
KCNH2 Q12809 2/20 0.43
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
NAMPT P43490 1/20 0.40
PREP P48147 2/20 0.38

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
SCHEMBL14902470 0.91 SIGMAR1 (0.62) SIGMAR1NPFFR1NPFFR2CTSSCTSK
SCHEMBL14902466 0.89 SIGMAR1 (0.61) SIGMAR1NPFFR1NPFFR2CTSSCTSK
SCHEMBL14902443 0.88 SIGMAR1 (0.48) SIGMAR1NPFFR1NPFFR2CTSSCTSK
SCHEMBL14902444 0.86 SIGMAR1 (0.51) SIGMAR1NPFFR1NPFFR2CTSSCTSK
SCHEMBL14902424 0.85 OPRD1 (0.48) KCNH2TSHR
SCHEMBL14902477 0.84 SIGMAR1 (0.60) SIGMAR1NPFFR1NPFFR2KCNH2
SCHEMBL14892399 0.84 SIGMAR1 (0.62) SIGMAR1NPFFR1NPFFR2CTSSCTSK
SCHEMBL14902468 0.81 SIGMAR1 (0.59) SIGMAR1NPFFR1NPFFR2CTSSCTSK
SCHEMBL14902434 0.79 KCNH2 (0.50) KCNH2NPC1MEN1ALDH1A1KMT2A
SCHEMBL14902462 0.79 NPC1 (0.51) KCNH2NPC1MEN1ALDH1A1KMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194747-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INT (DE) 2018-07-12 US disclosed
US-9920035-B2 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-20 US disclosed
US-9920035-B2 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-20 US disclosed
EP-2773633-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
US-20150336933-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INT (DE) 2015-11-26 US disclosed
US-20150336933-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INT (DE) 2015-11-26 US disclosed
US-20140228374-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-14 US disclosed
US-20140228374-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-14 US disclosed
US-8759349-B2 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8759349-B2 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
WO-2013064450-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-10 WO disclosed
US-20130109697-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
US-20130109697-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 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-20180194747-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof SCNN1B, SCNN1A, TRPM5 SIGMAR1 2217/4885NPFFR1 3424/4885NPFFR2 3019/4885
US-20130109697-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPM5 SIGMAR1 2217/4885NPFFR1 3424/4885NPFFR2 3019/4885
US-20140228374-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof SCNN1B, SCNN1A, TRPM5 SIGMAR1 2217/4885NPFFR1 3424/4885NPFFR2 3019/4885
US-20150336933-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof SCNN1B, SCNN1A, TRPM5 SIGMAR1 2217/4885NPFFR1 3424/4885NPFFR2 3019/4885

“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.