SCHEMBL14902506

SCHEMBL14902506

CC(C)(C)OC(=O)NCCNC(=O)N1CCC(CN)(CCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NAMPT P43490 2/20 0.46
▸ NPFFR1 Q9GZQ6 2/20 0.43
▸ NPFFR2 Q9Y5X5 2/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ NPC1L1 Q9UHC9 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ TPSAB1 Q15661 1/20 0.39

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
SCHEMBL14902510 0.96 SIGMAR1 (0.52) SIGMAR1ALDH1A1LMNANAMPTNPFFR1
SCHEMBL14902521 0.90 ALDH1A1 (0.48) SIGMAR1ALDH1A1LMNANAMPTNPFFR1
SCHEMBL14902499 0.89 SIGMAR1 (0.63) SIGMAR1ALDH1A1LMNANAMPTNPFFR1
SCHEMBL14892399 0.87 SIGMAR1 (0.62) SIGMAR1ALDH1A1NAMPTNPFFR1NPFFR2
SCHEMBL14902501 0.87 SIGMAR1 (0.62) SIGMAR1NAMPTNPFFR1NPFFR2NPC1
SCHEMBL14902523 0.86 SIGMAR1 (0.48) SIGMAR1ALDH1A1LMNANAMPTNPFFR1
SCHEMBL14902507 0.86 SIGMAR1 (0.61) SIGMAR1ALDH1A1NPFFR1NPFFR2DRD2
SCHEMBL14902509 0.84 NAMPT (0.53) ALDH1A1LMNANAMPTNPFFR1NPFFR2
SCHEMBL14902443 0.83 SIGMAR1 (0.48) SIGMAR1ALDH1A1LMNANAMPTNPFFR1
SCHEMBL14902513 0.83 NAMPT (0.52) ALDH1A1LMNANAMPTNPC1EPHX2

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 12 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
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 2217/4885ALDH1A1 1056/4885LMNA 495/4885
US-20130109697-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPM5 SIGMAR1 2217/4885ALDH1A1 1056/4885LMNA 495/4885
US-20140228374-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof SCNN1B, SCNN1A, TRPM5 SIGMAR1 2217/4885ALDH1A1 1056/4885LMNA 495/4885
US-20150336933-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof SCNN1B, SCNN1A, TRPM5 SIGMAR1 2217/4885ALDH1A1 1056/4885LMNA 495/4885

“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.

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